UCSF

ZINC43401081

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.74 4.86 -32.61 4 4 1 68 221.328 4
Mid Mid (pH 6-8) 0.74 6.47 -5.48 3 4 0 66 220.32 4
Lo Low (pH 4.5-6) 0.74 5.22 -86.41 5 4 2 69 222.336 4

Activity (Go SEA)

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