UCSF

ZINC41950687

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 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) 2.40 5.7 -45.98 2 6 1 69 335.453 7
Hi High (pH 8-9.5) 2.40 3.16 -8.12 1 6 0 67 334.445 7

Activity (Go SEA)

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