UCSF

ZINC00100849

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 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) 4.52 5.77 -6.28 1 3 0 42 296.153 3
Mid Mid (pH 6-8) 4.52 5.34 -33.54 0 3 -1 45 295.145 3
Mid Mid (pH 6-8) 4.52 6.53 -39.69 0 3 -1 45 295.145 3
Lo Low (pH 4.5-6) 4.52 4.99 -39.23 2 3 1 43 297.161 3
Lo Low (pH 4.5-6) 4.52 6.28 -36.11 2 3 1 43 297.161 3

Activity (Go SEA)

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