UCSF

ZINC09424819

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 32 No

Other Names:

MFCD03779698

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) 2.10 4.59 -64.77 1 8 -1 108 440.472 11
Mid Mid (pH 6-8) 2.55 3.56 -32.33 2 8 0 106 441.48 10
Mid Mid (pH 6-8) 1.52 -3.25 -25.33 1 8 0 102 441.48 11

Activity (Go SEA)

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