UCSF

ZINC04171666

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) 5.04 13.32 -18.46 1 4 0 62 414.549 7
Mid Mid (pH 6-8) 5.63 0.65 -37.69 3 4 1 67 415.557 6
Mid Mid (pH 6-8) 5.04 0.01 -41.7 2 4 1 63 415.557 7

Activity (Go SEA)

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