UCSF

ZINC04265785

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 36 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) 7.50 14.08 -24.41 2 4 0 70 462.508 1
Lo Low (pH 4.5-6) 7.50 13.41 -16.17 2 4 0 66 462.508 1

Activity (Go SEA)

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