UCSF

ZINC23305850

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 30 Yes

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) 2.71 8.12 -15.66 1 7 0 79 404.47 4
Lo Low (pH 4.5-6) 2.71 8.41 -43.43 2 7 1 80 405.478 4

Activity (Go SEA)

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