UCSF

ZINC43469026

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 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) 1.93 5.66 -39.51 2 3 1 34 222.337 4
Mid Mid (pH 6-8) 1.93 4.46 -6.58 1 3 0 30 221.329 4

Activity (Go SEA)

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