UCSF

ZINC44650435

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 14 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) 1.63 5.7 -39.3 2 3 1 37 201.334 7
Hi High (pH 8-9.5) 1.63 4.34 -7.28 1 3 0 32 200.326 7

Activity (Go SEA)

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