UCSF

ZINC37828698

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 No

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) 1.51 5.55 -10.4 0 4 0 36 340.265 4
Mid Mid (pH 6-8) 1.51 7.78 -55.09 1 4 1 38 341.273 4

Activity (Go SEA)

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