UCSF

ZINC35363915

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 31 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) 3.28 13.04 -57.44 1 5 1 49 426.577 4
Mid Mid (pH 6-8) 3.28 11.67 -10.78 0 5 0 48 425.569 4

Activity (Go SEA)

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