UCSF

ZINC45686840

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 2.41 6.52 -89.27 3 3 2 24 245.455 11
Mid Mid (pH 6-8) 2.41 6.84 -80.83 3 3 2 24 245.455 11
Mid Mid (pH 6-8) 2.41 8.98 -173.98 4 3 3 25 246.463 11

Activity (Go SEA)

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