UCSF

ZINC22084965

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 35 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) 4.43 11.08 -21.9 2 7 0 86 493.991 11
Lo Low (pH 4.5-6) 4.43 11.47 -46.45 3 7 1 87 494.999 11

Activity (Go SEA)

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