UCSF

ZINC05331130

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 14 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) 2.11 6.14 -12.15 0 3 0 33 192.262 2
Lo Low (pH 4.5-6) 2.11 5.97 -24.43 1 3 1 34 193.27 2

Activity (Go SEA)

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