UCSF

ZINC37092837

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 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) -0.13 1.81 -44.79 3 3 1 48 157.237 2
Hi High (pH 8-9.5) -0.13 1.42 -8.07 2 3 0 46 156.229 2

Activity (Go SEA)

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