UCSF

ZINC34981184

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 1.61 4.74 -48.65 2 5 1 59 255.338 9
Hi High (pH 8-9.5) 1.61 3.33 -5.49 1 5 0 55 254.33 9
Mid Mid (pH 6-8) 1.61 6.8 -124.85 3 5 2 60 256.346 9
Mid Mid (pH 6-8) 1.61 5.48 -38.94 2 5 1 56 255.338 9

Activity (Go SEA)

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