UCSF

ZINC19685410

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 16 Yes

Other Names:

MFCD11585370

MFCD19380073

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) -0.89 -1.03 -9.57 1 5 0 45 227.308 3
Mid Mid (pH 6-8) -0.89 0.39 -53.38 2 5 1 49 228.316 3
Mid Mid (pH 6-8) -0.89 1.37 -44.12 2 5 1 46 228.316 3
Mid Mid (pH 6-8) -0.89 2.79 -102.8 3 5 2 51 229.324 3

Activity (Go SEA)

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