UCSF

ZINC00200893

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 3.56 0.67 -8.68 1 4 0 46 323.371 5
Mid Mid (pH 6-8) 0.15 0.89 -33.51 2 4 1 48 324.379 5

Activity (Go SEA)

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