UCSF

ZINC20135923

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 13 Yes

Other Names:

MFCD06740677

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) 1.83 3.33 -35.4 3 2 1 29 183.319 2
Mid Mid (pH 6-8) 1.83 4.73 -105.38 4 2 2 33 184.327 2
Mid Mid (pH 6-8) 1.83 3.57 -39.11 3 2 1 29 183.319 2

Activity (Go SEA)

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