UCSF

ZINC19688018

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 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) -0.43 1.43 -48.67 3 4 1 51 214.333 4
Mid Mid (pH 6-8) -0.43 3.62 -94.6 4 4 2 52 215.341 4

Activity (Go SEA)

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