UCSF

ZINC35273951

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 1.43 5.25 -44.78 3 3 1 45 202.281 4
Hi High (pH 8-9.5) 1.43 3.89 -6.05 2 3 0 41 201.273 4
Hi High (pH 8-9.5) 1.43 3.91 -6.21 2 3 0 41 201.273 4

Activity (Go SEA)

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