UCSF

ZINC43625734

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 16 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) 1.77 6.37 -78.22 2 4 0 66 243.69 5
Hi High (pH 8-9.5) 1.77 4.93 -47.42 1 4 -1 61 242.682 5

Activity (Go SEA)

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