UCSF

ZINC09409243

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 32 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) 6.13 10.32 -13.26 2 6 0 78 433.552 10
Mid Mid (pH 6-8) 6.13 11.09 -53.37 1 6 -1 81 432.544 10

Activity (Go SEA)

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