UCSF

ZINC37233015

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 2.46 7.37 -85.87 3 4 2 37 292.471 6
Mid Mid (pH 6-8) 2.46 9.85 -180.75 4 4 3 38 293.479 6
Mid Mid (pH 6-8) 2.46 7.58 -41.45 2 4 1 36 291.463 6

Activity (Go SEA)

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