UCSF

ZINC34423374

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 13 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) 1.41 2.77 -130.47 6 2 2 55 184.327 1
Mid Mid (pH 6-8) 1.41 2.53 -41.21 5 2 1 54 183.319 1
Mid Mid (pH 6-8) 1.41 2.35 -35.35 5 2 1 54 183.319 1

Activity (Go SEA)

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