UCSF

ZINC44825876

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 4.15 8.97 -45.98 2 4 1 57 296.479 10
Hi High (pH 8-9.5) 4.01 8.5 -33.63 1 4 0 64 295.471 10

Activity (Go SEA)

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