UCSF

ZINC09969595

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2007 33 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) 4.99 11.5 -58.68 0 6 -1 83 464.925 8
Mid Mid (pH 6-8) 5.43 0.88 -28.77 1 6 0 79 465.933 7
Mid Mid (pH 6-8) 4.40 1.18 -19.76 0 6 0 76 465.933 8

Activity (Go SEA)

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