UCSF

ZINC34865265

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 28 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) 1.87 5.39 -57.37 5 7 1 107 384.456 6
Hi High (pH 8-9.5) 1.87 6.32 -56.77 3 7 -1 108 382.44 6
Mid Mid (pH 6-8) 1.87 5.09 -18.31 4 7 0 105 383.448 6

Activity (Go SEA)

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