UCSF

ZINC37198036

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 4.72 9.39 -31.61 2 1 1 17 266.455 7
Hi High (pH 8-9.5) 4.72 8.25 -2.43 1 1 0 12 265.447 7

Activity (Go SEA)

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