UCSF

ZINC55064611

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.74 4.85 -178.9 5 4 3 40 271.473 4
Hi High (pH 8-9.5) 0.74 2.27 -35.18 3 4 1 37 269.457 4
Mid Mid (pH 6-8) 0.74 2.97 -105.4 4 4 2 39 270.465 4

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

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