UCSF

ZINC69515213

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 22 Yes

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) 2.85 9.94 -99.23 3 4 2 38 325.884 6
Hi High (pH 8-9.5) 2.85 7.8 -40.26 2 4 1 37 324.876 6

Activity (Go SEA)

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