UCSF

ZINC33814191

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 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) 3.27 10.76 -59.5 0 9 -1 105 492.552 11
Lo Low (pH 4.5-6) 3.27 9.47 -23.45 1 9 0 103 493.56 11

Activity (Go SEA)

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