UCSF

ZINC22028604

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 19 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) 1.31 6.12 -52.52 1 4 0 48 266.316 5
Hi High (pH 8-9.5) 1.31 3.74 -46.19 0 4 -1 47 265.308 5

Activity (Go SEA)

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