UCSF

ZINC39454933

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2010 24 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) 2.13 4.81 -36.39 2 4 1 31 332.512 5
Mid Mid (pH 6-8) 2.13 4.5 -33.98 2 4 1 31 332.512 5
Lo Low (pH 4.5-6) 2.13 7.06 -88.93 3 4 2 32 333.52 5
Lo Low (pH 4.5-6) 2.13 6.9 -100.17 3 4 2 32 333.52 5

Activity (Go SEA)

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