UCSF

ZINC37051659

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.61 5.5 -9.1 1 4 0 39 257.337 3
Lo Low (pH 4.5-6) 2.61 5.93 -32.89 2 4 1 40 258.345 3

Activity (Go SEA)

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