UCSF

ZINC04167893

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 30 Yes

Other Names:

MFCD02232802

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) 4.67 -2.4 -16.22 1 5 0 67 467.363 4
Mid Mid (pH 6-8) 4.67 -2.95 -12.87 1 5 0 67 467.363 4
Mid Mid (pH 6-8) 4.83 -4 -11.93 1 5 0 67 467.363 4

Activity (Go SEA)

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