UCSF

ZINC04024415

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 23 Yes

Other Names:

MFCD05256265

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) 4.92 9.13 -34.86 1 3 1 41 347.269 1
Mid Mid (pH 6-8) 4.55 8.58 -42.49 1 3 1 41 347.269 1
Mid Mid (pH 6-8) 4.37 9.15 -44.81 1 3 1 41 347.269 1

Activity (Go SEA)

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