UCSF

ZINC40036929

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 38 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 6.06 17.76 -15.58 1 7 0 78 514.67 8
Lo Low (pH 4.5-6) 6.06 18.21 -34.4 2 7 1 79 515.678 8

Activity (Go SEA)

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