UCSF

ZINC34675349

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 36 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) 7.19 19.79 -50.54 1 6 1 51 498.054 5
Mid Mid (pH 6-8) 7.19 17.58 -9.71 0 6 0 50 497.046 5

Activity (Go SEA)

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