UCSF

ZINC37819822

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 2.42 6.27 -7.77 1 4 0 45 349.228 3
Lo Low (pH 4.5-6) 2.42 7.56 -41.57 2 4 1 50 350.236 3

Activity (Go SEA)

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