UCSF

ZINC28384418

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 26 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) 0.02 1.73 -50.25 5 7 1 102 357.434 6
Mid Mid (pH 6-8) 0.02 3.12 -114.43 6 7 2 107 358.442 6

Activity (Go SEA)

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