UCSF

ZINC37693560

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 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) 0.76 2.5 -28.92 2 4 1 41 222.312 3
Mid Mid (pH 6-8) 0.76 2.17 -6.37 1 4 0 40 221.304 3
Lo Low (pH 4.5-6) 0.76 4.73 -89.19 3 4 2 42 223.32 3
Lo Low (pH 4.5-6) 0.76 4.42 -38.5 2 4 1 41 222.312 3

Activity (Go SEA)

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