UCSF

ZINC53659462

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 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) 2.00 4.98 -39.39 2 2 1 20 221.315 6
Mid Mid (pH 6-8) 2.00 7.08 -94.94 3 2 2 21 222.323 6

Activity (Go SEA)

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