UCSF

ZINC36680116

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 26 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) 3.36 4.18 -15.55 1 7 0 80 352.394 6
Hi High (pH 8-9.5) 3.42 2.03 -55.46 0 7 -1 87 351.386 6

Activity (Go SEA)

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