UCSF

ZINC39869950

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 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) 4.33 8.93 -201.88 0 8 -3 134 409.399 7
Mid Mid (pH 6-8) 4.33 9.44 -126.86 1 8 -2 131 410.407 7

Activity (Go SEA)

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