UCSF

ZINC34611142

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 3.18 4.18 -12.42 1 3 0 50 230.194 0
Hi High (pH 8-9.5) 3.18 4.96 -45.1 0 3 -1 53 229.186 0

Activity (Go SEA)

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