UCSF

ZINC21812947

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 3.15 8.44 -54.88 3 2 1 37 355.683 5
Hi High (pH 8-9.5) 3.15 8.11 -4.08 2 2 0 35 354.675 5

Activity (Go SEA)

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