UCSF

ZINC34872168

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 22 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) 1.00 5.45 -16.84 1 6 0 69 302.378 6
Mid Mid (pH 6-8) 1.45 4.9 -50.35 1 6 0 74 302.378 6

Activity (Go SEA)

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