UCSF

ZINC35844999

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 34 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) 5.95 17.41 -33.88 1 4 1 38 469.596 13
Mid Mid (pH 6-8) 5.95 15.35 -12.79 0 4 0 37 468.588 13

Activity (Go SEA)

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