UCSF

ZINC20101625

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 33 No

Download: MOL2 SDF SMILES Flexibase

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) 3.17 8.12 -55.84 0 7 -1 76 513.412 7
Mid Mid (pH 6-8) 3.17 10.46 -69.46 1 7 0 77 514.42 7

Activity (Go SEA)

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