UCSF

ZINC49793742

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 46 No

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) 6.98 20.54 -181.24 4 5 3 32 624.982 14
Hi High (pH 8-9.5) 6.98 17.17 -39.61 2 5 1 26 622.966 14
Mid Mid (pH 6-8) 6.98 18.54 -103.69 3 5 2 31 623.974 14

Activity (Go SEA)

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