UCSF

ZINC39898473

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 29 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) 4.89 8.87 -39.23 1 6 -1 81 410.881 6
Mid Mid (pH 6-8) 4.89 8.1 -13.72 2 6 0 78 411.889 6
Mid Mid (pH 6-8) 4.89 7.97 -10.41 2 6 0 78 411.889 6

Activity (Go SEA)

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