UCSF

ZINC43708473

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 21 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) 1.26 3.61 -51.54 3 5 1 64 305.276 4
Hi High (pH 8-9.5) 1.26 2.26 -8.31 2 5 0 60 304.268 4

Activity (Go SEA)

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