UCSF

ZINC13713887

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 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) 5.09 7.76 -11.17 1 5 0 64 374.849 4
Ref Reference (pH 7) 4.60 7.54 -42.73 0 5 -1 63 373.841 5
Hi High (pH 8-9.5) 5.55 6.08 -48.01 0 5 -1 67 373.841 4
Hi High (pH 8-9.5) 5.55 5.72 -50.9 0 5 -1 67 373.841 4

Activity (Go SEA)

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