UCSF

ZINC36488162

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 31 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) 0.61 5.14 -57.12 5 10 1 144 433.485 13
Mid Mid (pH 6-8) 0.61 4.63 -22.66 4 10 0 143 432.477 13

Activity (Go SEA)

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