UCSF

ZINC03906274

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 22 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) 3.58 9.78 -9.78 1 5 0 56 360.211 5
Lo Low (pH 4.5-6) 3.58 10.16 -29.7 2 5 1 57 361.219 5

Activity (Go SEA)

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