UCSF

ZINC28866837

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 30 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) 4.63 11.42 -42.26 2 6 1 52 467.808 4
Mid Mid (pH 6-8) 4.63 8.95 -7.23 1 6 0 51 466.8 4

Activity (Go SEA)

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