UCSF

ZINC37789149

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.02 6.27 -47.6 1 6 -1 91 287.295 3
Lo Low (pH 4.5-6) 1.02 4.61 -22.03 2 6 0 88 288.303 3

Activity (Go SEA)

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