UCSF

ZINC36964093

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 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) -0.20 1.81 -106.15 4 4 2 45 229.368 5
Hi High (pH 8-9.5) -0.20 1.43 -36.81 3 4 1 43 228.36 5
Mid Mid (pH 6-8) -0.20 -0.55 -45.36 3 4 1 43 228.36 5
Mid Mid (pH 6-8) -0.20 1.71 -87.64 4 4 2 45 229.368 5
Lo Low (pH 4.5-6) -0.20 4.08 -182.08 5 4 3 46 230.376 5

Activity (Go SEA)

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