UCSF

ZINC37172666

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 3.05 5.13 -45.71 3 2 1 31 261.842 6
Hi High (pH 8-9.5) 3.05 4.81 -1.33 2 2 0 29 260.834 6
Lo Low (pH 4.5-6) 3.05 6.86 -121.37 4 2 2 32 262.85 6

Activity (Go SEA)

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