UCSF

ZINC37817989

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 1.54 3.84 -48.82 4 5 1 77 272.413 9
Mid Mid (pH 6-8) 1.54 4.12 -12.34 3 5 0 75 271.405 9

Activity (Go SEA)

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