UCSF

ZINC38545493

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 11 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) -1.77 -2.46 -10.22 3 6 0 92 151.129 0
Mid Mid (pH 6-8) -1.59 -4.49 -37.12 2 6 -1 99 150.121 0

Activity (Go SEA)

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