UCSF

ZINC35501851

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 5.05 9.58 -40.08 2 1 1 17 303.297 6
Hi High (pH 8-9.5) 5.05 9.21 -1.1 1 1 0 12 302.289 6

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Rings

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