UCSF

ZINC42459080

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) -0.42 4.48 -90.18 4 4 2 51 254.374 7
Hi High (pH 8-9.5) -0.42 1.95 -47.22 3 4 1 49 253.366 7

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Rings

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