UCSF

ZINC34670809

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 25 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) 2.64 3.25 -10.93 1 5 0 51 359.413 8
Lo Low (pH 4.5-6) 2.64 5.57 -49.17 2 5 1 52 360.421 8

Activity (Go SEA)

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