UCSF

ZINC36160141

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 No

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) -0.22 -0.14 -117.78 5 6 2 96 316.423 6
Hi High (pH 8-9.5) -0.22 -2.67 -14.82 3 6 0 93 314.407 6
Mid Mid (pH 6-8) -0.22 -2.27 -52.12 4 6 1 94 315.415 6

Activity (Go SEA)

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