UCSF

ZINC37795259

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -0.17 3.25 -52.17 1 7 -1 96 252.25 6
Lo Low (pH 4.5-6) -0.17 1.24 -13.68 2 7 0 93 253.258 6

Activity (Go SEA)

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