UCSF

ZINC06382916

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 29 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) 2.89 9.5 -57.7 0 8 -1 119 409.399 6
Mid Mid (pH 6-8) 3.34 0.33 -33.96 1 8 0 116 410.407 5
Mid Mid (pH 6-8) 2.31 0.59 -25.51 0 8 0 113 410.407 6

Activity (Go SEA)

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