UCSF

ZINC22162045

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 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) 1.70 4.74 -50.71 2 4 1 46 237.323 7
Hi High (pH 8-9.5) 1.70 3.36 -5.7 1 4 0 42 236.315 7
Mid Mid (pH 6-8) 1.70 5.87 -41.39 2 4 1 43 237.323 7
Mid Mid (pH 6-8) 1.70 7.19 -126.04 3 4 2 47 238.331 7

Activity (Go SEA)

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