UCSF

ZINC33996778

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 23 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) 3.94 8.31 -44.8 3 2 1 37 324.366 7
Hi High (pH 8-9.5) 3.94 7.3 -4.87 2 2 0 32 323.358 7

Activity (Go SEA)

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