UCSF

ZINC37147185

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 15 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) 3.53 7.74 -35.42 1 2 1 28 209.357 3
Hi High (pH 8-9.5) 3.53 6.77 -4.74 0 2 0 27 208.349 3

Activity (Go SEA)

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