UCSF

ZINC21981421

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 32 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) 3.20 8.19 -16.32 1 9 0 110 459.572 7
Mid Mid (pH 6-8) 3.65 7.32 -54.54 0 9 -1 113 458.564 7

Activity (Go SEA)

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