UCSF

ZINC08859695

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 35 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) 3.74 11.61 -39.96 0 7 -1 92 491.951 9
Mid Mid (pH 6-8) 3.16 -0.45 -23.6 0 7 0 85 492.959 9

Activity (Go SEA)

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