UCSF

ZINC34230831

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 27 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) 3.16 2.46 -52.69 2 7 -1 107 401.342 7
Hi High (pH 8-9.5) 3.16 3.68 -101.33 1 7 -2 110 400.334 7
Mid Mid (pH 6-8) 3.16 2.34 -20.98 3 7 0 105 402.35 7

Activity (Go SEA)

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