UCSF

ZINC37089992

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 3.43 8.94 -102.86 3 3 2 30 296.43 4
Hi High (pH 8-9.5) 3.43 8.44 -32.38 2 3 1 26 295.422 4

Activity (Go SEA)

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