UCSF

ZINC43391313

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 3.53 7.87 -39.88 2 2 1 29 299.822 4
Mid Mid (pH 6-8) 3.53 6.76 -7.41 1 2 0 25 298.814 4

Activity (Go SEA)

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