UCSF

ZINC25493705

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 18 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) 2.15 6.83 -18.95 1 4 0 68 244.246 1
Mid Mid (pH 6-8) 2.15 7.86 -55.9 0 4 -1 70 243.238 1

Activity (Go SEA)

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