UCSF

ZINC36679476

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 15 Yes

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) 0.51 3.81 -42.14 3 3 1 50 209.313 7
Lo Low (pH 4.5-6) 0.51 4.16 -86.09 4 3 2 51 210.321 7

Activity (Go SEA)

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