UCSF

ZINC36330448

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 34 No

Popular Name: (2R)-2-[[(2R,4R)-1-[(E,4R)-4-amino-5-sulfanyl-pent-2-enyl]-4-(1-naphthyloxy)pyrrolidine-2-carbonyl]a (2R)-2-[[(2R,4R)-1-[(E,4R)-4-ami…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.67 8.79 -86.47 4 7 0 109 503.69 12 ↓
Hi High (pH 8-9.5) 0.67 8.53 -56.29 3 7 -1 108 502.682 12 ↓
Hi High (pH 8-9.5) 0.67 9.27 -87.49 4 7 -1 109 502.682 12 ↓
Mid Mid (pH 6-8) 0.67 11 -138.31 5 7 1 111 504.698 12 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.