UCSF

ZINC40182044

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 38 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 7.09 18.55 -15.75 0 5 0 47 509.694 11
Mid Mid (pH 6-8) 7.09 19.06 -43.71 1 5 1 49 510.702 11

Activity (Go SEA)

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