UCSF

ZINC31811765

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 31 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) 2.60 11.09 -47.26 1 7 1 61 419.505 4
Mid Mid (pH 6-8) 2.60 8.7 -12.89 0 7 0 60 418.497 4

Activity (Go SEA)

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