UCSF

ZINC35017283

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 4.99 9.56 -35.1 2 1 1 17 252.447 5
Hi High (pH 8-9.5) 4.99 8.37 -1.01 1 1 0 12 251.439 5

Activity (Go SEA)

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