UCSF

ZINC44221331

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 1.10 5.64 -50.17 0 4 -1 58 193.226 2
Lo Low (pH 4.5-6) 1.10 5.77 -55.45 1 4 0 59 194.234 2

Activity (Go SEA)

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