UCSF

ZINC52267849

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 0.82 3.48 -125.24 0 3 -2 63 156.181 2
Mid Mid (pH 6-8) 0.82 3.21 -50.61 1 3 -1 60 157.189 2
Lo Low (pH 4.5-6) 0.82 0.95 -7.03 2 3 0 58 158.197 2

Activity (Go SEA)

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