UCSF

ZINC36667424

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 13 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) -0.64 1.15 -52.77 4 4 1 81 184.263 5
Hi High (pH 8-9.5) -0.64 0.84 -13.9 3 4 0 79 183.255 5

Activity (Go SEA)

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