UCSF

ZINC35815612

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 38 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) 6.19 13.03 -9.92 1 5 0 54 527.734 14
Mid Mid (pH 6-8) 6.19 14.76 -56.52 2 5 1 56 528.742 14

Activity (Go SEA)

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