UCSF

ZINC34418955

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 20 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) 1.29 4.7 -47.15 2 5 1 55 279.36 6
Mid Mid (pH 6-8) 1.29 3.34 -6.38 1 5 0 51 278.352 6

Activity (Go SEA)

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