UCSF

ZINC54899157

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 18 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) 2.04 7.57 -87 3 4 2 37 270.446 6
Hi High (pH 8-9.5) 2.04 3.99 -4.42 1 4 0 31 268.43 6
Mid Mid (pH 6-8) 2.04 5.36 -38.71 2 4 1 36 269.438 6

Activity (Go SEA)

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