UCSF

ZINC08429203

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 23 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) 3.16 10.95 -44.36 1 5 1 44 353.899 8
Hi High (pH 8-9.5) 3.16 8.47 -12.99 0 5 0 43 352.891 8

Activity (Go SEA)

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