UCSF

ZINC43401317

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 2.18 7.07 -33.73 4 4 1 68 263.409 7
Mid Mid (pH 6-8) 2.18 8.57 -4.68 3 4 0 66 262.401 7
Lo Low (pH 4.5-6) 2.18 7.51 -89.01 5 4 2 69 264.417 7

Activity (Go SEA)

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