UCSF

ZINC40118968

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 21 No

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) 3.46 8.02 -10.8 1 6 0 88 325.777 4
Hi High (pH 8-9.5) 3.53 7.31 -37.28 0 6 -1 94 324.769 4

Activity (Go SEA)

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