UCSF

ZINC37991459

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 2.18 7.64 -49.59 1 4 1 38 296.822 4
Mid Mid (pH 6-8) 2.18 5.43 -8.57 0 4 0 36 295.814 4

Activity (Go SEA)

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