UCSF

ZINC37826289

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -0.30 0.09 -47.87 5 6 1 97 300.423 7
Hi High (pH 8-9.5) -0.30 -0.23 -13.9 4 6 0 96 299.415 7

Activity (Go SEA)

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