UCSF

ZINC37985149

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.08 8.36 -49.27 2 2 1 26 428.116 6
Mid Mid (pH 6-8) 5.08 6.98 -5.4 1 2 0 21 427.108 6

Activity (Go SEA)

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