UCSF

ZINC21637580

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 19 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) 0.03 4.86 -8.28 0 6 0 53 263.345 2
Mid Mid (pH 6-8) 0.03 7.21 -45.78 1 6 1 54 264.353 2

Activity (Go SEA)

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