UCSF

ZINC04635032

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2005 14 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) -0.89 5.64 -50.27 3 3 1 45 188.254 3
Mid Mid (pH 6-8) -0.89 6.14 -114.63 4 3 2 47 189.262 3

Activity (Go SEA)

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