UCSF

ZINC43798637

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 24 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) 1.86 7.62 -83.58 4 6 2 53 333.48 3
Mid Mid (pH 6-8) 1.86 5.27 -42.58 3 6 1 52 332.472 3

Activity (Go SEA)

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