UCSF

ZINC38810829

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 17 No

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Annotations

Vendors

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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) 0.49 3.05 -34.86 1 8 0 104 254.227 3
Hi High (pH 8-9.5) 0.68 1.1 -57.48 0 8 -1 110 253.219 3

Activity (Go SEA)

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