UCSF

ZINC05764827

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 27 Yes

Other Names:

MFCD00574407

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) 2.44 8.17 -134.34 1 7 -2 110 365.389 6
Mid Mid (pH 6-8) 2.44 8.21 -64.68 2 7 -1 111 366.397 6
Mid Mid (pH 6-8) 2.44 5.34 -69.01 2 7 -1 107 366.397 6

Activity (Go SEA)

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