UCSF

ZINC39979965

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 28 No

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) 2.81 3.41 -48.51 1 7 -1 103 435.507 5
Lo Low (pH 4.5-6) 3.73 3.71 -17.36 2 7 0 104 436.515 4

Activity (Go SEA)

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