UCSF

ZINC43242305

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) 2.15 5.43 -27.47 3 3 1 40 271.45 8
Hi High (pH 8-9.5) 2.15 3.93 -2.2 2 3 0 38 270.442 8
Mid Mid (pH 6-8) 2.15 4.24 -39.89 3 3 1 40 271.45 8
Mid Mid (pH 6-8) 2.15 5.76 -102.87 4 3 2 41 272.458 8

Activity (Go SEA)

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