UCSF

ZINC20125817

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) 2.94 5.2 -32.97 2 4 1 38 281.42 7
Mid Mid (pH 6-8) 2.94 6.1 -31.69 2 4 1 35 281.42 7
Lo Low (pH 4.5-6) 2.94 7.31 -112.45 3 4 2 40 282.428 7

Activity (Go SEA)

Rings

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