UCSF

ZINC31903379

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 28 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) 3.09 9.4 -15.94 0 6 0 57 379.46 6
Mid Mid (pH 6-8) 3.09 9.92 -31.92 1 6 1 58 380.468 6

Activity (Go SEA)

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