UCSF

ZINC42766036

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 No

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) 0.71 6.75 -45.49 3 4 1 51 312.484 5
Hi High (pH 8-9.5) 0.71 4.73 -15.09 2 4 0 50 311.476 5

Activity (Go SEA)

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