UCSF

ZINC22063165

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 28 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) 0.21 9.17 -93.83 1 7 0 79 389.427 4
Mid Mid (pH 6-8) -2.54 8.21 -66 2 7 1 82 390.435 3
Mid Mid (pH 6-8) 0.21 6.79 -63.8 0 7 -1 78 388.419 4

Activity (Go SEA)

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