UCSF

ZINC51397125

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 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) 0.91 5.26 -46.22 3 4 1 57 243.334 5
Hi High (pH 8-9.5) 0.91 5.17 -30.33 3 4 1 56 243.334 5
Hi High (pH 8-9.5) 0.91 4.85 -6.92 2 4 0 55 242.326 5
Mid Mid (pH 6-8) 0.91 5.71 -91.73 4 4 2 58 244.342 5
Lo Low (pH 4.5-6) 0.91 6.02 -165.33 5 4 3 59 245.35 5
Lo Low (pH 4.5-6) 0.91 5.63 -76.64 4 4 2 58 244.342 5

Activity (Go SEA)

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