UCSF

ZINC44679452

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) 1.27 5.64 -76.92 4 3 2 33 239.407 5
Hi High (pH 8-9.5) 1.27 3.26 -37.17 3 3 1 32 238.399 5
Lo Low (pH 4.5-6) 1.27 6.84 -174.67 5 3 3 38 240.415 5
Lo Low (pH 4.5-6) 1.27 4.45 -94.88 4 3 2 36 239.407 5

Activity (Go SEA)

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