UCSF

ZINC37743054

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 15 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) 3.55 5.7 -6.22 1 2 0 36 208.349 4
Mid Mid (pH 6-8) 3.55 6.66 -44.13 2 2 1 40 209.357 4

Activity (Go SEA)

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