UCSF

ZINC49292342

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 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) -0.09 3.8 -32.66 3 4 1 51 228.36 7
Mid Mid (pH 6-8) -0.09 2.17 -50.64 3 4 1 51 228.36 7
Lo Low (pH 4.5-6) -0.09 4.13 -117.16 4 4 2 52 229.368 7

Activity (Go SEA)

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