UCSF

ZINC37794906

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 3.28 8.77 -55.27 1 4 -1 69 310.439 7
Lo Low (pH 4.5-6) 3.28 6.59 -10.43 2 4 0 66 311.447 7

Activity (Go SEA)

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