UCSF

ZINC44694007

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) 0.68 2.74 -32.66 2 4 1 38 243.371 7
Mid Mid (pH 6-8) 0.68 5.28 -29.49 2 4 1 35 243.371 7
Lo Low (pH 4.5-6) 0.68 5.09 -96.09 3 4 2 40 244.379 7

Activity (Go SEA)

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