UCSF

ZINC37844647

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 2.32 7.94 -11.7 1 5 0 50 337.221 4
Lo Low (pH 4.5-6) 2.32 8.42 -35.66 2 5 1 51 338.229 4

Activity (Go SEA)

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