UCSF

ZINC19801233

Substance Information

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

Other Names:

MFCD09894144

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) 0.33 3.06 -86.68 3 3 2 24 187.331 3
Hi High (pH 8-9.5) 0.33 0.53 -39.21 2 3 1 23 186.323 3

Activity (Go SEA)

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