UCSF

ZINC06785462

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 24 No

Other Names:

MFCD02950495

Download: MOL2 SDF SMILES Flexibase

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) 2.25 2.5 -11.17 3 6 0 101 317.352 2
Mid Mid (pH 6-8) 2.25 3.65 -33.76 4 6 1 102 318.36 2
Mid Mid (pH 6-8) 2.25 2.94 -34.73 4 6 1 102 318.36 2
Lo Low (pH 4.5-6) 2.25 3.43 -59.81 4 6 1 102 318.36 2

Activity (Go SEA)

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