UCSF

ZINC37854743

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.72 0.49 -104.59 4 5 2 54 247.383 8
Mid Mid (pH 6-8) -0.72 -1.99 -42.98 3 5 1 53 246.375 8
Mid Mid (pH 6-8) -0.72 2.75 -181.23 5 5 3 55 248.391 8

Activity (Go SEA)

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