UCSF

ZINC34988618

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 3.06 8.86 -35.65 1 3 1 25 275.416 6
Mid Mid (pH 6-8) 3.06 6.57 -6.69 0 3 0 24 274.408 6
Mid Mid (pH 6-8) 3.06 8.77 -38.58 1 3 1 25 275.416 6

Activity (Go SEA)

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