UCSF

ZINC21819701

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.57 7.85 -34.5 2 2 0 40 316.615 4
Hi High (pH 8-9.5) 4.57 6.35 -35.88 1 2 -1 35 315.607 4
Hi High (pH 8-9.5) 4.57 5.66 -5.09 2 2 0 32 316.615 4
Mid Mid (pH 6-8) 4.57 7.19 -48.41 3 2 1 37 317.623 4

Activity (Go SEA)

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