UCSF

ZINC08383491

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 31 No

Other Names:

MFCD03861520

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) 2.83 8.85 -42.99 0 6 -1 83 431.493 5
Mid Mid (pH 6-8) 3.27 8.05 -31.03 1 6 0 80 432.501 4
Mid Mid (pH 6-8) 2.24 9.04 -23.8 0 6 0 77 432.501 5

Activity (Go SEA)

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