UCSF

ZINC62452694

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 20 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) -0.38 1.4 -17.8 1 6 0 62 285.388 6
Mid Mid (pH 6-8) -0.38 3.48 -51.01 2 6 1 63 286.396 6

Activity (Go SEA)

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