UCSF

ZINC20189731

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.79 2.99 -37.98 4 4 1 57 279.404 5
Hi High (pH 8-9.5) 2.79 2.44 -45.43 3 4 0 63 278.396 5
Mid Mid (pH 6-8) 2.79 1.65 -41.81 4 4 1 60 279.404 5

Activity (Go SEA)

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