UCSF

ZINC31934785

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 2.43 6.55 -55.83 3 5 1 72 334.465 4
Hi High (pH 8-9.5) 2.89 5.49 -45.51 2 5 0 75 333.457 4
Hi High (pH 8-9.5) 2.43 5.07 -13.74 2 5 0 67 333.457 4

Activity (Go SEA)

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