UCSF

ZINC17917992

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 20 No

Other Names:

MFCD00298701

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) 4.03 6.7 -8.64 2 4 0 57 285.734 2
Ref Reference (pH 7) 4.03 6.65 -10.85 2 4 0 57 285.734 2
Ref Reference (pH 7) 3.85 6.72 -23.14 3 4 1 55 286.742 3
Hi High (pH 8-9.5) 5.21 5.48 -49.53 1 4 -1 64 284.726 2
Hi High (pH 8-9.5) 4.49 4.8 -47.31 1 4 -1 60 284.726 2
Hi High (pH 8-9.5) 5.21 4.12 -44.32 1 4 -1 64 284.726 2
Hi High (pH 8-9.5) 4.49 4.63 -52.07 1 4 -1 60 284.726 2

Activity (Go SEA)

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