UCSF

ZINC37299890

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 3.37 6.46 -44.91 3 2 1 31 279.423 6
Hi High (pH 8-9.5) 3.37 7.92 -38.58 3 2 1 30 279.423 6

Activity (Go SEA)

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