UCSF

ZINC41513471

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 4.14 8.43 -34.83 2 4 1 51 327.379 4
Mid Mid (pH 6-8) 4.14 9.2 -25.05 1 4 0 54 326.371 4

Activity (Go SEA)

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