UCSF

ZINC39724206

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 24 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) 6.16 9.84 -12.43 1 4 0 55 463.571 3
Mid Mid (pH 6-8) 6.23 8.88 -46.37 0 4 -1 61 462.563 3

Activity (Go SEA)

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