UCSF

ZINC19927873

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 32 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) 5.04 9.89 -18.05 1 9 0 124 471.564 6
Hi High (pH 8-9.5) 4.11 9.89 -39.34 0 9 -1 123 470.556 7

Activity (Go SEA)

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