UCSF

ZINC39744416

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 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) 3.09 10.15 -13.89 1 7 0 86 407.499 8
Lo Low (pH 4.5-6) 3.09 10.62 -45.72 2 7 1 87 408.507 8

Activity (Go SEA)

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