UCSF

ZINC04170985

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 31 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) 3.82 10.06 -47.46 1 5 -1 81 416.428 6
Mid Mid (pH 6-8) 4.26 -1.06 -32.38 2 5 0 77 417.436 5
Mid Mid (pH 6-8) 3.23 -0.81 -24.89 1 5 0 74 417.436 6

Activity (Go SEA)

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