UCSF

ZINC22241634

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 23 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) 1.17 8.28 -95.58 3 5 2 51 320.481 8
Hi High (pH 8-9.5) 1.17 6.06 -50.08 2 5 1 50 319.473 8

Activity (Go SEA)

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