UCSF

ZINC39303512

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 33 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) 2.44 11.01 -20.91 0 6 0 47 446.595 5
Mid Mid (pH 6-8) 2.44 13.23 -54.64 1 6 1 48 447.603 5

Activity (Go SEA)

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