UCSF

ZINC37812908

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) -0.69 4.86 -10.97 2 5 0 73 264.325 6
Mid Mid (pH 6-8) -0.69 5.17 -47.91 3 5 1 74 265.333 6

Activity (Go SEA)

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