UCSF

ZINC34891445

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 36 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) 3.22 5.77 -50.25 1 11 -1 138 507.552 8
Lo Low (pH 4.5-6) 3.40 6.19 -15.71 2 11 0 139 508.56 7

Activity (Go SEA)

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