UCSF

ZINC19117215

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2008 26 Yes

Other Names:

MFCD00170122

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) 3.63 7.41 -7.2 0 4 0 32 376.304 4
Mid Mid (pH 6-8) 3.63 7.6 -37.98 1 4 1 34 377.312 4

Activity (Go SEA)

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