UCSF

ZINC35055448

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) 3.99 10.26 -52.58 2 1 1 17 296.768 5
Hi High (pH 8-9.5) 3.99 9.04 -6.63 1 1 0 12 295.76 5

Activity (Go SEA)

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