UCSF

ZINC26557412

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 22 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) 3.91 9.09 -20.61 1 4 0 55 339.461 8
Hi High (pH 8-9.5) 4.09 8.01 -41.81 0 4 -1 61 338.453 8

Activity (Go SEA)

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