UCSF

ZINC33025686

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 30 Yes

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) 2.69 8.21 -18.02 2 7 0 85 404.449 7
Lo Low (pH 4.5-6) 2.69 8.64 -55.65 3 7 1 86 405.457 7

Activity (Go SEA)

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