UCSF

ZINC06316455

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 21 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) 3.43 5.79 -30.65 0 6 -1 94 329.716 4
Lo Low (pH 4.5-6) 3.43 5.72 -9.18 1 6 0 92 330.724 4

Activity (Go SEA)

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