UCSF

ZINC44890703

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 0.07 3.77 -21.87 2 7 0 92 257.253 2
Ref Reference (pH 7) 0.06 5.69 -27.38 2 7 0 92 257.253 2
Mid Mid (pH 6-8) 0.07 4.47 -60.66 1 7 -1 95 256.245 2
Mid Mid (pH 6-8) 0.06 5.68 -44.15 2 7 0 92 257.253 2

Activity (Go SEA)

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