UCSF

ZINC36096625

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 19 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) 2.98 6.97 -35.77 2 3 1 34 286.461 10
Hi High (pH 8-9.5) 2.98 4.77 -5.16 1 3 0 33 285.453 10

Activity (Go SEA)

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