UCSF

ZINC37098436

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 1.29 2.1 -55.49 3 4 1 65 243.352 5
Hi High (pH 8-9.5) 1.29 1.7 -8.2 2 4 0 63 242.344 5

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Rings

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