UCSF

ZINC20128689

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.04 4.97 -37.97 3 4 1 46 279.404 7
Hi High (pH 8-9.5) 2.04 5.04 -70.75 2 4 0 52 278.396 7
Mid Mid (pH 6-8) 2.04 4.1 -49.54 3 4 1 49 279.404 7

Activity (Go SEA)

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