UCSF

ZINC16123937

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 19 Yes

Other Names:

MFCD00665805

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) 3.41 8.36 -54.96 0 4 -1 57 271.683 2
Mid Mid (pH 6-8) 3.41 8.78 -44.74 1 4 0 59 272.691 2

Activity (Go SEA)

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