UCSF

ZINC33787392

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 34 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) 7.13 14.44 -14.46 1 6 0 65 530.507 9
Mid Mid (pH 6-8) 7.13 14.84 -46.04 2 6 1 69 531.515 9
Lo Low (pH 4.5-6) 7.13 14.86 -33.38 2 6 1 66 531.515 9

Activity (Go SEA)

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