UCSF

ZINC00699365

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 38 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) 2.84 12.76 -63.26 3 8 1 96 532.69 10
Hi High (pH 8-9.5) 2.66 11.68 -78.7 2 8 0 102 531.682 10

Activity (Go SEA)

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