UCSF

ZINC22123064

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 14 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) 2.25 6.67 -31.16 1 3 1 31 200.302 3
Hi High (pH 8-9.5) 2.25 4.63 -4.41 0 3 0 30 199.294 3

Activity (Go SEA)

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