UCSF

ZINC51709032

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 22 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) 3.10 7.91 -36.36 2 5 1 54 314.494 10
Hi High (pH 8-9.5) 3.10 6.12 -12.3 1 5 0 53 313.486 10

Activity (Go SEA)

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