UCSF

ZINC39295821

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.69 6.04 -19.09 1 7 0 71 409.486 6
Lo Low (pH 4.5-6) 2.69 8.24 -50.96 2 7 1 72 410.494 6

Activity (Go SEA)

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