UCSF

ZINC06400165

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 25 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) 5.20 -1.49 -6.83 3 4 0 68 402.253 3
Lo Low (pH 4.5-6) 5.20 -1.43 -35.28 4 4 1 69 403.261 3

Activity (Go SEA)

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