UCSF

ZINC42913644

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.34 5.76 -112.93 4 2 2 32 240.366 5
Mid Mid (pH 6-8) 2.34 5.42 -32.22 3 2 1 30 239.358 5
Mid Mid (pH 6-8) 2.34 4.26 -42.62 3 2 1 31 239.358 5

Activity (Go SEA)

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