UCSF

ZINC36996577

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 2.48 3.63 -40.64 3 3 1 40 247.362 3
Hi High (pH 8-9.5) 2.48 4.33 -31.24 2 3 0 43 246.354 3
Lo Low (pH 4.5-6) 2.48 5.89 -110.69 4 3 2 41 248.37 3

Activity (Go SEA)

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