UCSF

ZINC70596329

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 15 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) 1.71 5.26 -82.35 3 3 2 24 217.401 10
Mid Mid (pH 6-8) 1.71 5.42 -76.72 3 3 2 24 217.401 10
Mid Mid (pH 6-8) 1.71 7.72 -161.42 4 3 3 25 218.409 10

Activity (Go SEA)

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