UCSF

ZINC33923913

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 33 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) 3.93 9.34 -28.86 4 11 1 142 452.543 7
Hi High (pH 8-9.5) 3.93 7.23 -8.71 3 11 0 140 451.535 7

Activity (Go SEA)

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