UCSF

ZINC23259519

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 27 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) 2.14 5.63 -44.43 3 7 1 83 372.493 5
Hi High (pH 8-9.5) 2.14 3.57 -16.66 2 7 0 81 371.485 5

Activity (Go SEA)

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