UCSF

ZINC44722677

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) 1.05 5.91 -36.61 2 4 1 37 254.398 6
Mid Mid (pH 6-8) 1.05 4.69 -38.3 2 4 1 40 254.398 6
Lo Low (pH 4.5-6) 1.05 7.04 -102.01 3 4 2 41 255.406 6

Activity (Go SEA)

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