UCSF

ZINC34464032

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 23 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) 3.31 5.6 -61.27 4 5 1 83 347.489 6
Mid Mid (pH 6-8) 3.31 5.2 -12.75 3 5 0 81 346.481 6

Activity (Go SEA)

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