UCSF

ZINC40854877

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 21 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) 0.98 4.27 -55.25 3 5 1 68 310.443 4
Hi High (pH 8-9.5) 0.98 3.94 -13.51 2 5 0 67 309.435 4

Activity (Go SEA)

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