UCSF

ZINC19442524

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 20 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) 1.54 6.19 -35.95 1 5 1 57 266.328 2
Mid Mid (pH 6-8) 1.54 5.9 -8.82 0 5 0 56 265.32 2

Activity (Go SEA)

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