UCSF

ZINC19687856

Substance Information

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

Other Names:

MFCD11586315

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) 0.40 2.57 -37.78 2 4 1 40 226.344 2
Hi High (pH 8-9.5) 0.40 1.28 -8.66 1 4 0 36 225.336 2
Mid Mid (pH 6-8) 0.40 4.78 -91.9 3 4 2 41 227.352 2

Activity (Go SEA)

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