UCSF

ZINC41030066

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 11 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) 0.18 0.72 -40.4 3 2 1 31 165.207 2
Lo Low (pH 4.5-6) 0.18 2.81 -103.89 4 2 2 32 166.215 2

Activity (Go SEA)

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