UCSF

ZINC25337575

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 31 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) 2.48 7.19 -55.2 2 7 1 66 421.521 4
Mid Mid (pH 6-8) 2.48 4.99 -18.22 1 7 0 65 420.513 4

Activity (Go SEA)

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