UCSF

ZINC39700409

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 29 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) 1.15 6.94 -36.66 1 11 0 130 412.435 6
Hi High (pH 8-9.5) 1.34 5.62 -56.19 0 11 -1 136 411.427 6

Activity (Go SEA)

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