UCSF

ZINC55265090

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 2.87 4.26 -38.55 2 5 1 63 397.746 6
Hi High (pH 8-9.5) 2.87 4.4 -37.28 1 5 0 66 396.738 6

Activity (Go SEA)

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