UCSF

ZINC39645993

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 25 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) 3.70 8.1 -6.83 0 4 0 31 339.435 7
Lo Low (pH 4.5-6) 3.70 10.38 -35.28 1 4 1 32 340.443 7

Activity (Go SEA)

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