UCSF

ZINC22593774

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 15 Yes

Other Names:

MFCD00785794

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) 1.22 5.58 -38.22 1 4 1 34 215.317 5
Mid Mid (pH 6-8) 1.22 5.19 -36.83 1 4 1 34 215.317 5
Mid Mid (pH 6-8) 1.22 3.12 -4.57 0 4 0 33 214.309 5

Activity (Go SEA)

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