UCSF

ZINC37806376

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -0.14 2.44 -65.15 3 5 1 82 317.456 7
Hi High (pH 8-9.5) -0.14 2.12 -17.36 2 5 0 80 316.448 7

Activity (Go SEA)

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