UCSF

ZINC44511362

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 21 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) -2.16 3.94 -71.75 4 8 0 120 296.327 7
Mid Mid (pH 6-8) -2.16 3.36 -60.93 3 8 -1 119 295.319 7

Activity (Go SEA)

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