UCSF

ZINC44626273

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 3.19 5.18 -43.87 2 4 1 56 287.17 5
Hi High (pH 8-9.5) 3.19 3.81 -6.73 1 4 0 51 286.162 5

Activity (Go SEA)

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