UCSF

ZINC19410173

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 19 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) 0.53 7.14 -20.22 0 5 0 56 265.309 6
Hi High (pH 8-9.5) 1.27 7.07 -49.2 0 5 -1 62 264.301 5

Activity (Go SEA)

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