UCSF

ZINC59917770

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 15 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) 1.47 8.06 -90.81 0 4 -2 80 226.253 6
Lo Low (pH 4.5-6) 1.47 6.08 -46.53 1 4 -1 77 227.261 6

Activity (Go SEA)

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