UCSF

ZINC07374046

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2006 26 No

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) 2.91 9.76 -43.65 3 5 1 63 354.474 6
Hi High (pH 8-9.5) 2.91 7.53 -18.26 2 5 0 61 353.466 6

Activity (Go SEA)

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