UCSF

ZINC08442136

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 31 Yes

Other Names:

MFCD04150486

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) 7.38 1.96 -7.8 0 3 0 27 492.233 7
Mid Mid (pH 6-8) 7.38 2.24 -38.45 1 3 1 28 493.241 7

Activity (Go SEA)

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