UCSF

ZINC00952202

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 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) 3.94 12.12 -12.56 0 5 0 52 383.249 3
Mid Mid (pH 6-8) 3.94 12.64 -33.18 1 5 1 54 384.257 3
Lo Low (pH 4.5-6) 3.94 12.44 -37.45 1 5 1 54 384.257 3

Activity (Go SEA)

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