UCSF

ZINC39869958

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.16 10.83 -121.22 1 7 -2 122 459.277 5
Mid Mid (pH 6-8) 5.16 10.42 -195.18 0 7 -3 124 458.269 5

Activity (Go SEA)

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