UCSF

ZINC36614500

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 25 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) 1.38 4.77 -19.49 0 7 0 73 375.445 7
Lo Low (pH 4.5-6) 1.38 5.05 -37.87 1 7 1 74 376.453 7

Activity (Go SEA)

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