UCSF

ZINC20299818

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.21 3.72 -41.42 2 4 1 37 214.333 5
Hi High (pH 8-9.5) 0.21 1.2 -8.01 1 4 0 36 213.325 5
Mid Mid (pH 6-8) 0.21 2.46 -37.49 2 4 1 40 214.333 5
Lo Low (pH 4.5-6) 0.21 4.81 -110.53 3 4 2 41 215.341 5

Activity (Go SEA)

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