UCSF

ZINC02923283

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 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) 2.40 8.46 -13.71 1 9 0 112 450.542 9
Hi High (pH 8-9.5) 2.47 6.97 -47.08 0 9 -1 119 449.534 9

Activity (Go SEA)

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