UCSF

ZINC13113474

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 22 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) 1.33 7.94 -27.48 2 10 0 138 304.266 5
Hi High (pH 8-9.5) 1.33 8.95 -76.7 1 10 -1 141 303.258 5

Activity (Go SEA)

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