UCSF

ZINC33817001

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 17 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) 1.93 5.53 -52.75 1 3 -1 42 243.311 3
Lo Low (pH 4.5-6) 1.93 5 -8.39 1 3 0 42 244.319 3
Lo Low (pH 4.5-6) 1.93 5.99 -47 2 3 0 43 244.319 3

Activity (Go SEA)

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