UCSF

ZINC03905494

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 26 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) 2.66 10.16 -11.06 1 8 0 88 358.398 6
Hi High (pH 8-9.5) 2.84 9.67 -39.67 0 8 -1 89 357.39 6

Activity (Go SEA)

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