UCSF

ZINC41679664

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 3.24 7.25 -80.15 4 4 2 50 297.487 7
Hi High (pH 8-9.5) 3.24 5.98 -38.42 3 4 1 46 296.479 7

Activity (Go SEA)

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