UCSF

ZINC33834811

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 14 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) 1.24 1.96 -42.83 2 4 -1 81 260.063 3
Hi High (pH 8-9.5) 1.24 2.73 -90.98 1 4 -2 83 259.055 3

Activity (Go SEA)

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