UCSF

ZINC31559577

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 32 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) 4.53 11.38 -58.14 2 5 0 52 440.604 6
Hi High (pH 8-9.5) 4.53 9.19 -3.67 1 5 0 51 439.596 6

Activity (Go SEA)

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