UCSF

ZINC12374237

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2008 28 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) 5.56 10.07 -9.74 0 4 0 48 370.452 5
Lo Low (pH 4.5-6) 5.56 10.35 -36.59 1 4 1 49 371.46 5

Activity (Go SEA)

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