UCSF

ZINC42782577

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 0.39 7.64 -70.57 3 7 0 102 296.371 6
Mid Mid (pH 6-8) 0.39 7.13 -60.13 2 7 -1 101 295.363 6

Activity (Go SEA)

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