UCSF

ZINC19959149

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 16 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) 2.70 6.63 -37.41 2 2 1 16 290.2 6
Mid Mid (pH 6-8) 2.70 5.53 -50.16 2 2 1 20 290.2 6

Activity (Go SEA)

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