UCSF

ZINC51925659

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.41 10.65 -98.88 2 4 2 29 323.525 3
Hi High (pH 8-9.5) 2.41 8.55 -34.54 1 4 1 28 322.517 3

Activity (Go SEA)

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