UCSF

ZINC37012090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -0.62 -1.31 -51.58 6 6 1 109 252.294 6
Hi High (pH 8-9.5) -0.62 -1.63 -15.89 5 6 0 107 251.286 6

Activity (Go SEA)

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