UCSF

ZINC33073380

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2009 23 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) 2.81 6.94 -17.87 2 5 0 75 327.409 4
Hi High (pH 8-9.5) 3.26 5.79 -41.53 1 5 -1 78 326.401 4

Activity (Go SEA)

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