UCSF

ZINC31997280

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 3.12 6.73 -8.51 0 3 0 30 281.355 4
Lo Low (pH 4.5-6) 3.12 9.08 -45.5 1 3 1 31 282.363 4

Activity (Go SEA)

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