UCSF

ZINC01785168

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 42 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) 8.37 19.81 -15.19 1 7 0 69 552.682 6
Hi High (pH 8-9.5) 8.37 19.14 -52.58 0 7 -1 71 551.674 6
Mid Mid (pH 6-8) 8.37 20.25 -28.7 2 7 1 71 553.69 6

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.