UCSF

ZINC49753911

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 21 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) -0.45 3.32 -59.17 2 6 1 70 295.407 6
Mid Mid (pH 6-8) -0.45 5.59 -109.02 3 6 2 71 296.415 6
Mid Mid (pH 6-8) -0.45 1.06 -13.88 1 6 0 69 294.399 6

Activity (Go SEA)

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