UCSF

ZINC33465985

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 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) 1.32 2.54 -41.32 3 4 1 55 238.307 6
Hi High (pH 8-9.5) 1.32 1.07 -7.45 2 4 0 51 237.299 6

Activity (Go SEA)

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