UCSF

ZINC04265369

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 23 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) 2.30 5.49 -12.14 1 6 0 73 307.357 5
Lo Low (pH 4.5-6) 2.30 5.85 -38.37 2 6 1 74 308.365 5

Activity (Go SEA)

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