UCSF

ZINC33961394

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 10 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) 0.00 0.62 -24.69 5 4 1 71 141.198 1
Mid Mid (pH 6-8) 0.00 0.5 -6.94 4 4 0 70 140.19 1

Activity (Go SEA)

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