UCSF

ZINC37019090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 3.10 5.63 -45.79 4 3 1 57 283.823 6
Hi High (pH 8-9.5) 3.10 5.3 -6.2 3 3 0 55 282.815 6

Activity (Go SEA)

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