UCSF

ZINC19794294

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 13 Yes

Other Names:

MFCD06446904

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) 0.09 2.42 -91.12 4 3 2 35 187.331 5
Hi High (pH 8-9.5) 0.09 0.02 -43.07 3 3 1 34 186.323 5
Mid Mid (pH 6-8) 0.09 2.5 -84.71 4 3 2 35 187.331 5

Activity (Go SEA)

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