UCSF

ZINC69945642

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 18 No

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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) 1.45 5.83 -34.16 4 5 1 60 252.386 3
Hi High (pH 8-9.5) 1.45 4 -6.02 3 5 0 59 251.378 3
Mid Mid (pH 6-8) 1.45 5.97 -88.38 5 5 2 62 253.394 3

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

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