UCSF

ZINC41151504

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 27 Yes

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) 4.12 10.9 -56.99 2 7 -1 99 363.397 6
Mid Mid (pH 6-8) 4.12 11.36 -58.47 3 7 0 100 364.405 6

Activity (Go SEA)

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