UCSF

ZINC21629342

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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) 2.51 3.94 -63.4 2 8 1 89 420.511 7
Mid Mid (pH 6-8) 2.51 4.84 -20.17 1 8 0 88 419.503 7

Activity (Go SEA)

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