UCSF

ZINC34440370

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 26 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) 2.39 8.88 -88.05 5 5 2 62 355.461 6
Mid Mid (pH 6-8) 2.39 8.46 -52.78 4 5 1 61 354.453 6

Activity (Go SEA)

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