UCSF

ZINC33819204

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 28 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) 3.01 7.6 -31.36 3 5 1 67 372.448 5
Hi High (pH 8-9.5) 3.01 6.59 -11.44 2 5 0 63 371.44 5

Activity (Go SEA)

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