UCSF

ZINC39758164

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 29 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) 5.50 11.91 -25.66 1 5 0 72 419.893 5
Hi High (pH 8-9.5) 5.57 11.14 -57.72 0 5 -1 78 418.885 5

Activity (Go SEA)

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