UCSF

ZINC28522964

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 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) 3.06 11.08 -121.49 3 3 2 24 325.5 7
Mid Mid (pH 6-8) 3.06 8.61 -45.44 2 3 1 23 324.492 7

Activity (Go SEA)

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