UCSF

ZINC00519594

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 22 No

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) 2.23 7.38 -45.62 0 4 -1 56 315.333 4
Lo Low (pH 4.5-6) 2.23 7.68 -33.1 1 4 0 58 316.341 4

Activity (Go SEA)

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