UCSF

ZINC69453453

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 24 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) 0.09 7.26 -35.55 1 8 1 69 327.416 3
Hi High (pH 8-9.5) 0.09 6.65 -10.94 0 8 0 68 326.408 3

Activity (Go SEA)

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