UCSF

ZINC44648895

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 0.93 0.56 -51.2 6 6 1 101 251.31 6
Hi High (pH 8-9.5) 0.93 -0.79 -17.18 5 6 0 96 250.302 6

Activity (Go SEA)

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