UCSF

ZINC61821160

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 17 No

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) 1.80 9.5 -8.67 1 4 0 37 252.387 2
Mid Mid (pH 6-8) 2.52 9.87 -46.79 0 4 -1 34 251.379 2

Activity (Go SEA)

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