UCSF

ZINC09969610

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2007 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) 3.26 8.01 -45.9 1 7 -1 103 430.436 8
Mid Mid (pH 6-8) 3.70 -0.54 -32.14 2 7 0 100 431.444 7
Mid Mid (pH 6-8) 2.67 -0.32 -21.69 1 7 0 97 431.444 8

Activity (Go SEA)

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