UCSF

ZINC37788470

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -0.20 7.46 -52.9 1 7 -1 100 273.272 5
Lo Low (pH 4.5-6) -0.20 7.93 -53.25 2 7 0 101 274.28 5
Lo Low (pH 4.5-6) -0.20 5.95 -35.08 3 7 1 98 275.288 5

Activity (Go SEA)

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