UCSF

ZINC23066457

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 20 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) -0.61 3.47 -103.69 4 5 2 54 281.4 5
Hi High (pH 8-9.5) -0.61 0.17 -5.81 2 5 0 51 279.384 5
Mid Mid (pH 6-8) -0.61 2.58 -33.02 3 5 1 52 280.392 5
Mid Mid (pH 6-8) -0.61 1 -46.72 3 5 1 53 280.392 5

Activity (Go SEA)

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