UCSF

ZINC35744401

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 27 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) 2.20 7.79 -49.99 3 6 1 80 392.545 8
Hi High (pH 8-9.5) 2.66 4.76 -51.61 2 6 0 83 391.537 8
Hi High (pH 8-9.5) 2.20 5.6 -13.86 2 6 0 78 391.537 8

Activity (Go SEA)

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