UCSF

ZINC20266023

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.40 5.26 -34.89 4 4 1 68 233.339 2
Hi High (pH 8-9.5) 1.40 5.35 -5.47 3 4 0 66 232.331 2
Lo Low (pH 4.5-6) 1.40 5.57 -94.01 5 4 2 69 234.347 2

Activity (Go SEA)

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