UCSF

ZINC37990067

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) -0.50 -2.71 -43.36 2 7 -1 107 232.223 3
Lo Low (pH 4.5-6) -0.95 -0.84 -10.6 3 7 0 104 233.231 3

Activity (Go SEA)

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