UCSF

ZINC22699314

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 31 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) 4.45 8.58 -25.43 2 7 0 90 439.537 7
Hi High (pH 8-9.5) 4.52 7.68 -66.05 1 7 -1 96 438.529 7

Activity (Go SEA)

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