UCSF

ZINC37039271

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) -0.07 -0.08 -54 3 5 1 68 264.415 6
Mid Mid (pH 6-8) -0.07 1.66 -113.66 4 5 2 69 265.423 6

Activity (Go SEA)

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