UCSF

ZINC37518221

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 19 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) 0.35 5.49 -49.4 0 7 -1 90 269.277 4
Lo Low (pH 4.5-6) 0.35 3.49 -11.98 1 7 0 87 270.285 4

Activity (Go SEA)

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