UCSF

ZINC33106353

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2009 31 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) 3.68 9.63 -64.17 3 6 1 76 419.549 8
Hi High (pH 8-9.5) 3.68 7.3 -23.35 2 6 0 74 418.541 8

Activity (Go SEA)

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