UCSF

ZINC37825684

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 No

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) -1.85 -0.87 -60.19 3 5 1 82 231.297 3
Hi High (pH 8-9.5) -1.85 -1.27 -18.01 2 5 0 80 230.289 3

Activity (Go SEA)

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