UCSF

ZINC06477786

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 16 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) 2.98 6.96 -28.89 3 3 1 45 281.177 2
Mid Mid (pH 6-8) 2.98 6.89 -6.84 2 3 0 44 280.169 2

Activity (Go SEA)

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