UCSF

ZINC12711871

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 24 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) 2.13 5.9 -46.05 2 6 1 67 353.512 6
Mid Mid (pH 6-8) 2.31 3.41 -49.84 1 6 0 73 352.504 6

Activity (Go SEA)

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