UCSF

ZINC37856002

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) -0.24 1.05 -104.9 4 5 2 54 261.41 9
Hi High (pH 8-9.5) -0.24 -0.35 -34.2 3 5 1 49 260.402 9
Mid Mid (pH 6-8) -0.24 1.58 -43.7 3 5 1 57 260.402 9
Lo Low (pH 4.5-6) -0.24 1.88 -82.39 4 5 2 50 261.41 9

Activity (Go SEA)

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