UCSF

ZINC09968532

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2007 38 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) 5.96 11.01 -21.94 3 7 0 96 508.622 7
Mid Mid (pH 6-8) 6.42 12.5 -139.67 1 7 -2 102 506.606 7

Activity (Go SEA)

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