UCSF

ZINC04311391

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 30 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) 3.54 9.73 -61.72 0 6 -1 83 402.426 6
Mid Mid (pH 6-8) 3.54 1.72 -13.04 1 6 0 79 403.434 6
Mid Mid (pH 6-8) 2.96 1.57 -12.84 0 6 0 76 403.434 6

Activity (Go SEA)

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