UCSF

ZINC41721444

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) 2.07 9.75 -39.84 3 2 1 33 283.439 4
Hi High (pH 8-9.5) 2.07 9.43 -5.62 2 2 0 31 282.431 4

Activity (Go SEA)

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