UCSF

ZINC19505392

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 16 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) 0.44 2.5 -42.51 2 4 1 40 226.344 1
Mid Mid (pH 6-8) 0.44 4.9 -100.78 3 4 2 41 227.352 1

Activity (Go SEA)

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