UCSF

ZINC01068736

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 18 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) 1.24 11.03 -12.57 0 4 0 36 238.294 4
Mid Mid (pH 6-8) 1.24 11.54 -39.7 1 4 1 37 239.302 4
Lo Low (pH 4.5-6) 1.24 12.05 -76.87 2 4 2 38 240.31 4

Activity (Go SEA)

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