UCSF

ZINC33869223

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 38 No

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) 1.03 10.69 -62.88 2 9 -1 136 513.526 8
Mid Mid (pH 6-8) 1.03 10.99 -49.08 3 9 0 141 514.534 8
Lo Low (pH 4.5-6) 1.03 11.75 -61.29 3 9 0 141 514.534 8

Activity (Go SEA)

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