UCSF

ZINC19430127

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 12 No

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) -0.26 0.5 -11.58 2 3 0 38 188.296 3
Mid Mid (pH 6-8) -0.26 2.84 -45.48 3 3 1 40 189.304 3

Activity (Go SEA)

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