UCSF

ZINC39000372

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2010 18 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) 2.06 4.87 -6.7 1 4 0 56 260.236 6
Hi High (pH 8-9.5) 2.06 5.49 -47.74 0 4 -1 59 259.228 6

Activity (Go SEA)

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