UCSF

ZINC35959057

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.66 6.94 -55.78 1 7 1 52 380.557 3
Mid Mid (pH 6-8) 0.66 8.96 -109.71 2 7 2 53 381.565 3

Activity (Go SEA)

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