UCSF

ZINC35511841

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 29 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) 4.11 12.62 -16.33 1 5 0 58 386.499 5
Mid Mid (pH 6-8) 4.11 12.99 -33 2 5 1 59 387.507 5

Activity (Go SEA)

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