UCSF

ZINC20813636

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 33 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) 6.28 11.67 -8.46 2 4 0 62 475.683 6
Lo Low (pH 4.5-6) 6.28 12.12 -42.53 3 4 1 64 476.691 6

Activity (Go SEA)

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