UCSF

ZINC04312709

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) 3.44 11.07 -64.05 0 5 -1 73 397.454 5
Mid Mid (pH 6-8) 3.88 0.73 -18.38 1 5 0 70 398.462 4
Lo Low (pH 4.5-6) 3.88 0.86 -45.19 2 5 1 71 399.47 4

Activity (Go SEA)

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