UCSF

ZINC31868407

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 29 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) 2.38 8.36 -53.02 2 7 1 78 415.539 6
Mid Mid (pH 6-8) 2.38 6.28 -17.6 1 7 0 76 414.531 6

Activity (Go SEA)

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