UCSF

ZINC39721289

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 32 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) 6.81 10.01 -12.96 1 6 0 81 506.436 4
Mid Mid (pH 6-8) 6.81 10.03 -56.51 0 6 -1 83 505.428 4

Activity (Go SEA)

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