UCSF

ZINC44132237

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 2.94 5.33 -30.71 2 3 1 34 270.437 3
Mid Mid (pH 6-8) 2.94 3.04 -2.48 1 3 0 33 269.429 3

Activity (Go SEA)

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