UCSF

ZINC34851011

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 24 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) 2.84 8.18 -37.17 1 4 1 26 331.48 6
Mid Mid (pH 6-8) 2.84 10.44 -79.41 2 4 2 27 332.488 6

Activity (Go SEA)

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