UCSF

ZINC39869643

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 31 No

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) 5.82 11.01 -30.51 2 8 0 121 435.461 5
Mid Mid (pH 6-8) 5.82 10.21 -65.66 1 8 -1 123 434.453 5

Activity (Go SEA)

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