UCSF

ZINC04317739

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 24 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) 2.75 7.45 -12.34 1 5 0 53 327.359 4
Ref Reference (pH 7) 2.75 7.45 -12.42 1 5 0 53 327.359 4
Mid Mid (pH 6-8) 2.75 8.2 -21.95 2 5 0 54 328.367 4
Mid Mid (pH 6-8) 2.75 8.2 -89.19 2 5 0 54 328.367 4

Activity (Go SEA)

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