UCSF

ZINC36301027

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) 1.57 5.58 -50.5 3 5 1 63 355.256 4
Hi High (pH 8-9.5) 1.57 4.72 -57.8 3 5 1 66 355.256 4
Mid Mid (pH 6-8) 1.57 6.93 -122.25 4 5 2 67 356.264 4

Activity (Go SEA)

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