UCSF

ZINC20150251

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 16 Yes

Other Names:

MFCD00023380

MFCD00136884

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) -0.58 -3.2 -5.49 1 5 0 45 230.308 4
Mid Mid (pH 6-8) -0.58 -0.93 -38.93 2 5 1 46 231.316 4

Activity (Go SEA)

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