UCSF

ZINC13454270

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 32 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) 2.37 7.98 -114.06 0 8 -2 119 441.411 9
Mid Mid (pH 6-8) 2.82 6.88 -72.88 1 8 -1 116 442.419 8

Activity (Go SEA)

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