UCSF

ZINC62285866

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2011 27 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) 1.56 7.25 -48.55 2 7 1 72 370.477 4
Mid Mid (pH 6-8) 1.56 4.89 -12.35 1 7 0 70 369.469 4

Activity (Go SEA)

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