UCSF

ZINC08439415

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 32 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) 4.63 11.98 -29.8 1 6 0 86 435.52 4
Mid Mid (pH 6-8) 4.74 1.04 -13.51 0 6 0 85 435.52 4

Activity (Go SEA)

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