UCSF

ZINC44675769

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 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) 3.04 8.35 -106.43 4 2 2 33 248.414 7
Hi High (pH 8-9.5) 3.04 7.11 -39.63 3 2 1 29 247.406 7
Hi High (pH 8-9.5) 3.04 7.07 -35.38 3 2 1 29 247.406 7

Activity (Go SEA)

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