UCSF

ZINC39550386

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 31 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) 6.08 10.22 -8.84 0 4 0 43 406.485 5
Lo Low (pH 4.5-6) 6.08 11.08 -32.12 1 4 1 45 407.493 5
Lo Low (pH 4.5-6) 6.08 10.1 -31.21 1 4 1 45 407.493 5

Activity (Go SEA)

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