UCSF

ZINC59181929

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 28 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) 3.10 10.23 -51.33 2 5 1 46 384.544 13
Mid Mid (pH 6-8) 3.10 12.59 -119.99 3 5 2 47 385.552 13
Mid Mid (pH 6-8) 3.10 10.23 -47.77 2 5 1 46 384.544 13

Activity (Go SEA)

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