UCSF

ZINC37095157

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.73 4.06 -33.75 4 4 1 68 207.301 5
Mid Mid (pH 6-8) 0.73 5.53 -5.84 3 4 0 66 206.293 5

Activity (Go SEA)

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