UCSF

ZINC09493347

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 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) 4.22 -6.82 -17.81 2 7 0 101 470.931 7
Hi High (pH 8-9.5) 4.22 -6.27 -52.29 1 7 -1 103 469.923 7

Activity (Go SEA)

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