UCSF

ZINC06894426

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2006 23 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) 3.73 9.96 -41.29 3 4 0 73 308.381 5
Hi High (pH 8-9.5) 3.73 8.6 -50.57 2 4 -1 68 307.373 5

Activity (Go SEA)

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