UCSF

ZINC34668445

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 28 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) 2.51 8.46 -43.6 2 6 1 59 388.463 6
Mid Mid (pH 6-8) 2.51 6.25 -9.45 1 6 0 58 387.455 6

Activity (Go SEA)

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