UCSF

ZINC05330262

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 19 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) 2.19 5.29 -12.62 2 5 0 78 274.301 2
Lo Low (pH 4.5-6) 2.19 5.51 -39.54 3 5 1 80 275.309 2

Activity (Go SEA)

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