UCSF

ZINC37854461

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.36 1.88 -41.48 3 4 1 49 285.795 6
Hi High (pH 8-9.5) 1.36 0.51 -5.34 2 4 0 45 284.787 6
Mid Mid (pH 6-8) 1.36 2.4 -31.09 2 4 0 52 284.787 6
Mid Mid (pH 6-8) 1.36 4.14 -106.43 4 4 2 51 286.803 6

Activity (Go SEA)

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