UCSF

ZINC19804835

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 21 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) 0.53 2.06 -44.08 1 6 -1 82 293.343 5
Lo Low (pH 4.5-6) 0.53 3.29 -46.36 3 6 1 80 295.359 5

Activity (Go SEA)

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