UCSF

ZINC28573092

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 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) 3.45 7.47 -18.02 1 5 0 68 324.789 4
Hi High (pH 8-9.5) 2.97 6.55 -43.44 0 5 -1 75 323.781 4

Activity (Go SEA)

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