UCSF

ZINC09409277

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 35 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) 6.28 11.01 -15.31 2 7 0 88 477.605 12
Mid Mid (pH 6-8) 6.28 11.77 -55.42 1 7 -1 91 476.597 12

Activity (Go SEA)

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