UCSF

ZINC51396818

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 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) 1.05 4.39 -45.06 3 4 1 57 218.28 4
Hi High (pH 8-9.5) 1.05 3.98 -6.05 2 4 0 55 217.272 4
Mid Mid (pH 6-8) 1.05 4.2 -27.15 3 4 1 57 218.28 4
Lo Low (pH 4.5-6) 1.05 4.59 -106.72 4 4 2 58 219.288 4

Activity (Go SEA)

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