UCSF

ZINC70513368

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 1.77 3.66 -84.74 4 4 2 45 287.492 9
Hi High (pH 8-9.5) 1.77 2.42 -36.16 3 4 1 40 286.484 9
Mid Mid (pH 6-8) 1.77 6.26 -156.62 5 4 3 46 288.5 9
Mid Mid (pH 6-8) 1.77 4.02 -73.5 4 4 2 45 287.492 9

Activity (Go SEA)

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