UCSF

ZINC21784395

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 29 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) 4.93 8.05 -43.83 1 6 -1 87 471.356 5
Mid Mid (pH 6-8) 4.47 9.16 -12.94 2 6 0 84 472.364 5

Activity (Go SEA)

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