UCSF

ZINC37088237

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 3.09 6.09 -44.56 3 4 0 77 311.79 6
Hi High (pH 8-9.5) 3.09 6.84 -52.72 2 4 -1 80 310.782 6

Activity (Go SEA)

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