UCSF

ZINC40498938

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 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) 3.14 5.48 -14.31 2 5 0 70 324.808 3
Hi High (pH 8-9.5) 3.14 6.49 -53.88 1 5 -1 72 323.8 3

Activity (Go SEA)

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