UCSF

ZINC18059177

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 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) 1.25 4.64 -5.93 0 4 0 38 207.277 1
Mid Mid (pH 6-8) 1.25 5.05 -35.06 1 4 1 40 208.285 1

Activity (Go SEA)

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