UCSF

ZINC13513480

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 25 No

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) 5.31 7.06 -10.72 1 5 0 64 374.849 4
Ref Reference (pH 7) 4.82 6.83 -47.05 0 5 -1 63 373.841 5
Hi High (pH 8-9.5) 5.77 5.37 -52.13 0 5 -1 67 373.841 4
Hi High (pH 8-9.5) 5.77 4.98 -54.87 0 5 -1 67 373.841 4

Activity (Go SEA)

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