UCSF

ZINC44679372

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) 0.79 5.03 -80.54 5 3 2 44 239.407 4
Hi High (pH 8-9.5) 0.79 2.64 -40.03 4 3 1 43 238.399 4
Lo Low (pH 4.5-6) 0.79 6.07 -184.38 6 3 3 49 240.415 4
Lo Low (pH 4.5-6) 0.79 3.68 -101.48 5 3 2 47 239.407 4

Activity (Go SEA)

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