UCSF

ZINC21789966

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 2.71 4.47 -54.27 1 6 -1 91 348.187 4
Mid Mid (pH 6-8) 2.71 4.54 -96.13 0 6 -2 93 347.179 4

Activity (Go SEA)

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