UCSF

ZINC34624575

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 13 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) 1.99 2.81 -5.9 1 3 0 46 215.039 0
Mid Mid (pH 6-8) 2.90 0.68 -37.64 0 3 -1 49 214.031 0

Activity (Go SEA)

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