UCSF

ZINC26420910

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 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) 1.12 4.34 -61.78 0 6 -1 84 233.203 2
Lo Low (pH 4.5-6) 1.12 3.5 -14.26 1 6 0 81 234.211 2

Activity (Go SEA)

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