UCSF

ZINC15015872

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 23 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) 5.40 5.95 -8.53 2 4 0 65 348.786 2
Hi High (pH 8-9.5) 4.91 6.23 -90.4 0 4 -2 67 346.77 3
Hi High (pH 8-9.5) 5.40 6.31 -34.77 1 4 -1 68 347.778 2
Mid Mid (pH 6-8) 5.40 6.7 -34.93 1 4 -1 68 347.778 2

Activity (Go SEA)

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