UCSF

ZINC23067671

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 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) -0.22 4.64 -105.82 4 4 2 45 265.401 5
Hi High (pH 8-9.5) -0.22 2.26 -47.03 3 4 1 43 264.393 5
Hi High (pH 8-9.5) -0.22 1.44 -4.19 2 4 0 42 263.385 5
Mid Mid (pH 6-8) -0.22 3.84 -35.36 3 4 1 43 264.393 5
Mid Mid (pH 6-8) -0.22 4.23 -137.7 4 4 2 45 265.401 5

Activity (Go SEA)

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