UCSF

ZINC38003772

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) -0.67 -3.21 -52.66 3 8 -1 134 296.284 4
Mid Mid (pH 6-8) -0.21 -5.7 -39.87 3 8 -1 135 296.284 4
Mid Mid (pH 6-8) -0.67 -3.79 -19.65 4 8 0 132 297.292 4

Activity (Go SEA)

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