UCSF

ZINC02092957

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 38 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) -1.46 11.39 -39.99 3 10 1 125 511.562 8
Lo Low (pH 4.5-6) -1.46 11.83 -96.6 4 10 2 126 512.57 8

Activity (Go SEA)

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