UCSF

ZINC35723061

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) 4.55 12.13 -12.19 2 6 0 65 452.574 4
Lo Low (pH 4.5-6) 4.55 12.3 -35.47 3 6 1 66 453.582 4

Activity (Go SEA)

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