UCSF

ZINC20123240

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 17 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) 1.68 6.09 -33.92 2 3 1 29 234.367 4
Mid Mid (pH 6-8) 1.68 4.88 -33.06 2 3 1 33 234.367 4
Lo Low (pH 4.5-6) 1.68 6.44 -77.88 3 3 2 31 235.375 4

Activity (Go SEA)

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