UCSF

ZINC45704457

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 1.00 6.3 -99.19 4 4 2 49 259.438 9
Hi High (pH 8-9.5) 1.00 4.08 -97.15 4 4 2 45 259.438 9
Mid Mid (pH 6-8) 1.00 5.77 -190.97 5 4 3 46 260.446 9
Mid Mid (pH 6-8) 1.00 4.62 -81.45 4 4 2 41 259.438 9

Activity (Go SEA)

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