UCSF

ZINC35819315

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 26 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) 0.10 3.24 -12.13 1 8 0 88 363.462 9
Mid Mid (pH 6-8) 0.10 5.52 -42.64 2 8 1 89 364.47 9

Activity (Go SEA)

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