UCSF

ZINC37753081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 14 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) -0.23 4.69 -51.2 2 5 1 69 204.246 9
Mid Mid (pH 6-8) -0.23 3.32 -9.46 1 5 0 65 203.238 9

Activity (Go SEA)

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