UCSF

ZINC12530292

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 34 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) 3.99 7.62 -49.2 1 10 -1 149 481.441 7
Hi High (pH 8-9.5) 3.99 8.4 -88.97 0 10 -2 152 480.433 7
Mid Mid (pH 6-8) 3.99 7.58 -21.26 2 10 0 147 482.449 7

Activity (Go SEA)

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