UCSF

ZINC37871080

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 10 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) 1.09 4.23 -40.82 2 2 1 40 141.238 4
Hi High (pH 8-9.5) 1.09 3.43 -4.94 1 2 0 36 140.23 4

Activity (Go SEA)

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