UCSF

ZINC34181078

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2009 14 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) 1.39 2.43 -45.86 3 3 1 46 212.294 2
Mid Mid (pH 6-8) 1.39 1.49 -7.41 2 3 0 41 211.286 2

Activity (Go SEA)

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