UCSF

ZINC37102572

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 2.49 5.14 -44.13 3 4 1 63 252.334 7
Hi High (pH 8-9.5) 2.49 5.3 -6.69 2 4 0 59 251.326 7

Activity (Go SEA)

Rings

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