UCSF

ZINC37085470

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.24 5.73 -44.01 2 5 1 61 280.344 5
Hi High (pH 8-9.5) 2.24 4.95 -7.77 1 5 0 57 279.336 5

Activity (Go SEA)

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