UCSF

ZINC00317333

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) 2.32 1.45 -111.51 2 3 2 21 297.446 5
Lo Low (pH 4.5-6) 2.32 1.57 -190.49 3 3 3 23 298.454 5

Activity (Go SEA)

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