UCSF

ZINC32249347

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 26 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) 2.54 5.18 -10.22 1 5 0 51 358.413 6
Lo Low (pH 4.5-6) 2.54 7.54 -48.55 2 5 1 52 359.421 6

Activity (Go SEA)

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