UCSF

ZINC21639946

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) 1.76 8.34 -42.67 1 5 1 43 263.365 3
Mid Mid (pH 6-8) 1.76 6.07 -6.23 0 5 0 41 262.357 3

Activity (Go SEA)

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