UCSF

ZINC46897961

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2010 26 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) 4.34 6.66 -52.98 1 5 -1 77 385.49 5
Mid Mid (pH 6-8) 4.34 6.64 -15.1 2 5 0 75 386.498 5

Activity (Go SEA)

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