UCSF

ZINC21640074

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 24 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) 3.07 8.11 -11.95 0 4 0 32 330.382 3
Lo Low (pH 4.5-6) 3.07 8.33 -37.87 1 4 1 34 331.39 3

Activity (Go SEA)

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