UCSF

ZINC45628356

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) 2.73 6.33 -8.57 2 3 0 44 221.691 1
Mid Mid (pH 6-8) 2.73 6.41 -25.39 3 3 1 45 222.699 1

Activity (Go SEA)

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