UCSF

ZINC42964103

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 20 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) 1.78 2.69 -50.29 4 4 1 66 274.34 6
Hi High (pH 8-9.5) 1.78 2.42 -6.91 3 4 0 65 273.332 6

Activity (Go SEA)

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