UCSF

ZINC34623045

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 15 No

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) 0.42 2.62 -47.31 3 4 1 51 206.269 1
Mid Mid (pH 6-8) 0.42 2.34 -7.34 2 4 0 50 205.261 1

Activity (Go SEA)

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