UCSF

ZINC37020242

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 3.23 3.98 -45.97 3 4 1 55 344.563 5
Hi High (pH 8-9.5) 3.23 2.55 -8.49 2 4 0 50 343.555 5

Activity (Go SEA)

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