UCSF

ZINC34667104

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 22 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) 1.51 2.22 -5.88 0 5 0 34 306.406 5
Mid Mid (pH 6-8) 1.51 4.53 -36.88 1 5 1 35 307.414 5

Activity (Go SEA)

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