UCSF

ZINC20263330

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 34 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) 4.27 12.54 -66.72 1 6 0 74 466.553 12
Lo Low (pH 4.5-6) 4.27 11.71 -45.18 2 6 1 71 467.561 12

Activity (Go SEA)

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