UCSF

ZINC42869124

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 3.46 6.47 -11.93 3 4 0 64 292.452 4
Lo Low (pH 4.5-6) 3.46 6.59 -34.09 4 4 1 65 293.46 4

Activity (Go SEA)

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