UCSF

ZINC37044871

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.79 4.75 -52.61 4 5 1 83 279.36 7
Hi High (pH 8-9.5) 1.79 4.35 -6.67 3 5 0 81 278.352 7

Activity (Go SEA)

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