UCSF

ZINC08766620

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 25 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) 3.23 1.42 -15.78 1 5 0 59 332.338 3
Mid Mid (pH 6-8) 3.23 1.62 -28.82 2 5 1 60 333.346 3

Activity (Go SEA)

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