UCSF

ZINC04809762

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 31 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) 5.89 10.6 -11.51 2 5 0 69 415.537 5
Hi High (pH 8-9.5) 5.89 11.4 -40.28 1 5 -1 72 414.529 5

Activity (Go SEA)

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