UCSF

ZINC19897568

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 22 Yes

Other Names:

MFCD09758107

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) 2.96 6.6 -6.19 0 5 0 52 320.776 4
Mid Mid (pH 6-8) 2.96 7 -39.98 1 5 1 53 321.784 4

Activity (Go SEA)

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