UCSF

ZINC34691791

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.59 5.17 -12.31 0 8 0 64 475.611 8
Lo Low (pH 4.5-6) 1.59 7.47 -52.05 1 8 1 65 476.619 8
Lo Low (pH 4.5-6) 1.59 7.46 -48.59 1 8 1 65 476.619 8

Activity (Go SEA)

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