UCSF

ZINC43248569

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 1.72 4.54 -26.9 3 3 1 40 257.423 6
Hi High (pH 8-9.5) 1.72 2.42 -3.93 2 3 0 38 256.415 6
Mid Mid (pH 6-8) 1.72 2.74 -46.03 3 3 1 40 257.423 6
Mid Mid (pH 6-8) 1.72 4.85 -114.47 4 3 2 41 258.431 6

Activity (Go SEA)

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