UCSF

ZINC35517328

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 29 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) 5.66 10.53 -52.09 1 6 -1 98 423.857 4
Mid Mid (pH 6-8) 6.11 8.61 -99.2 0 6 -2 102 422.849 4

Activity (Go SEA)

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