UCSF

ZINC04065162

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 30 No

Other Names:

MFCD00771417

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.21 1.68 -8.44 0 5 0 68 405.494 7
Mid Mid (pH 6-8) 5.40 0.43 -9.66 0 5 0 68 405.494 7
Mid Mid (pH 6-8) 5.21 1.46 -11.53 0 5 0 68 405.494 7

Activity (Go SEA)

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