UCSF

ZINC44677122

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 2.58 7.07 -39.2 2 2 1 20 233.379 7
Hi High (pH 8-9.5) 2.58 5.78 -2.06 1 2 0 15 232.371 7
Mid Mid (pH 6-8) 2.58 9.19 -112.94 3 2 2 21 234.387 7
Mid Mid (pH 6-8) 2.58 7.87 -32.49 2 2 1 16 233.379 7

Activity (Go SEA)

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