UCSF

ZINC70513170

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) 2.44 7.31 -111.75 4 3 2 41 278.44 7
Hi High (pH 8-9.5) 2.44 3.9 -3.21 2 3 0 35 276.424 7
Mid Mid (pH 6-8) 2.44 5.52 -33.04 3 3 1 40 277.432 7
Mid Mid (pH 6-8) 2.44 6.28 -31 3 3 1 37 277.432 7

Activity (Go SEA)

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