UCSF

ZINC00594837

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 3.77 2.94 -10.79 0 5 0 55 355.323 3
Mid Mid (pH 6-8) 3.77 3.21 -39.16 1 5 1 57 356.331 3

Activity (Go SEA)

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