UCSF

ZINC06196243

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2006 28 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) 2.28 3.52 -59.85 2 7 -1 108 382.392 7
Mid Mid (pH 6-8) 2.73 -3.73 -19.24 3 7 0 105 383.4 6

Activity (Go SEA)

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