UCSF

ZINC43477562

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 Yes

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) 2.86 5.11 -43.24 3 4 1 63 272.752 6
Hi High (pH 8-9.5) 2.86 4.66 -46.29 1 4 -1 61 270.736 6
Hi High (pH 8-9.5) 2.86 5.88 -56.62 2 4 0 66 271.744 6
Mid Mid (pH 6-8) 2.86 3.94 -8.9 2 4 0 59 271.744 6

Activity (Go SEA)

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