UCSF

ZINC35889680

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 35 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) 5.84 16.28 -12.44 0 5 0 49 462.597 4
Mid Mid (pH 6-8) 5.84 16.6 -35.94 1 5 1 51 463.605 4

Activity (Go SEA)

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