UCSF

ZINC45785834

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 20 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) 2.08 2.28 -6.99 1 4 0 42 283.343 5
Mid Mid (pH 6-8) 2.08 4.48 -42.03 2 4 1 43 284.351 5

Activity (Go SEA)

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