UCSF

ZINC58356405

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 27 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) 3.60 10.84 -10.31 1 4 0 47 359.404 5
Lo Low (pH 4.5-6) 3.60 11.22 -43.28 2 4 1 48 360.412 5

Activity (Go SEA)

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