UCSF

ZINC20263517

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) 4.53 12.96 -73.47 1 6 0 74 468.569 12
Lo Low (pH 4.5-6) 4.53 12.15 -52.88 2 6 1 71 469.577 12

Activity (Go SEA)

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