UCSF

ZINC45702782

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 1.88 5.72 -49.64 3 5 1 72 296.387 11
Mid Mid (pH 6-8) 1.88 4.36 -8.56 2 5 0 68 295.379 11

Activity (Go SEA)

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