UCSF

ZINC45773314

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 32 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) 5.48 11.09 -14.64 1 6 0 81 426.52 8
Lo Low (pH 4.5-6) 5.48 11.56 -41.87 2 6 1 82 427.528 8

Activity (Go SEA)

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