UCSF

ZINC34958082

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 15 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) 2.03 8.22 -46.65 2 3 1 34 210.345 7
Mid Mid (pH 6-8) 2.03 8.72 -93.13 3 3 2 36 211.353 7

Activity (Go SEA)

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