UCSF

ZINC33331372

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 22 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) 1.46 5.39 -50.01 1 6 -1 99 334.354 1
Mid Mid (pH 6-8) 1.92 4.27 -97.69 0 6 -2 102 333.346 1

Activity (Go SEA)

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