UCSF

ZINC42693210

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 14 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) 1.15 3.57 -39.78 2 3 1 33 195.286 6
Mid Mid (pH 6-8) 1.15 4.53 -31.57 2 3 1 30 195.286 6

Activity (Go SEA)

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