UCSF

ZINC37033294

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) 1.02 4.36 -47.17 3 6 1 76 274.348 2
Hi High (pH 8-9.5) 1.02 2.99 -11.7 2 6 0 72 273.34 2

Activity (Go SEA)

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