UCSF

ZINC45661545

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) -0.10 0.97 -15.86 4 6 0 97 225.248 6
Mid Mid (pH 6-8) -0.55 -0.89 -56.09 4 6 1 95 226.256 6

Activity (Go SEA)

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