UCSF

ZINC35448000

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 34 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) 5.74 13.17 -47.28 2 7 1 83 476.578 6
Mid Mid (pH 6-8) 5.74 12.63 -19.46 1 7 0 82 475.57 6

Activity (Go SEA)

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