UCSF

ZINC43242376

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.10 5.38 -27.5 3 3 1 40 271.45 7
Hi High (pH 8-9.5) 2.10 4.18 -2.06 2 3 0 38 270.442 7
Mid Mid (pH 6-8) 2.10 4.57 -36 3 3 1 40 271.45 7
Mid Mid (pH 6-8) 2.10 5.65 -102.87 4 3 2 41 272.458 7

Activity (Go SEA)

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