UCSF

ZINC39953772

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 16 Yes

Other Names:

MFCD08729269

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) 1.64 6.76 -37.15 1 4 1 34 227.328 3
Mid Mid (pH 6-8) 1.64 4.57 -4.85 0 4 0 33 226.32 3

Activity (Go SEA)

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