UCSF

ZINC45665997

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 1.42 6.48 -193.38 5 4 3 40 287.516 9
Hi High (pH 8-9.5) 1.42 5.78 -82.48 4 4 2 38 286.508 9
Hi High (pH 8-9.5) 1.42 3.29 -34.87 3 4 1 37 285.5 9

Activity (Go SEA)

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