UCSF

ZINC37111277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 3.71 8.3 -44.38 3 2 1 31 289.487 6
Mid Mid (pH 6-8) 3.71 9.55 -33.07 3 2 1 30 289.487 6
Mid Mid (pH 6-8) 3.71 9.48 -124.61 4 2 2 32 290.495 6

Activity (Go SEA)

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