UCSF

ZINC00464996

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 19 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) 3.39 -3.31 -9.04 1 4 0 55 297.763 4
Hi High (pH 8-9.5) 3.39 -2.73 -41.42 0 4 -1 57 296.755 4

Activity (Go SEA)

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