UCSF

ZINC51762788

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 24 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) 1.01 7.44 -47.05 1 6 1 48 333.456 6
Hi High (pH 8-9.5) 1.01 5.06 -16.19 0 6 0 47 332.448 6
Lo Low (pH 4.5-6) 1.01 9.58 -105.16 2 6 2 49 334.464 6

Activity (Go SEA)

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