UCSF

ZINC35124968

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) 1.77 4.83 -47.4 3 4 1 59 248.35 5
Hi High (pH 8-9.5) 1.77 3.71 -9.47 2 4 0 54 247.342 5
Lo Low (pH 4.5-6) 1.77 4.17 -36.45 3 4 1 55 248.35 5

Activity (Go SEA)

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