UCSF

ZINC07053423

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 18 Yes

Other Names:

MFCD12650424

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) 3.91 5.87 -9.36 1 3 0 46 326.215 3
Mid Mid (pH 6-8) 3.91 5.93 -42.51 0 3 -1 48 325.207 3

Activity (Go SEA)

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