UCSF

ZINC35774411

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 14 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) 0.75 2.62 -28.04 3 4 1 53 194.258 1
Mid Mid (pH 6-8) 0.75 2.16 -5.25 2 4 0 51 193.25 1

Activity (Go SEA)

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