UCSF

ZINC01054922

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 28 Yes

Other Names:

MFCD00226021

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) 5.19 9.27 -45.62 1 6 -1 86 389.46 5
Mid Mid (pH 6-8) 5.19 9.37 -16.28 2 6 0 84 390.468 5

Activity (Go SEA)

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