UCSF

ZINC41508107

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 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) 2.07 5.6 -13.58 1 5 0 60 314.385 6
Lo Low (pH 4.5-6) 2.07 6.01 -44.63 2 5 1 62 315.393 6

Activity (Go SEA)

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