UCSF

ZINC04561478

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 26 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) 4.53 11.16 -15.37 1 4 0 45 369.465 6
Lo Low (pH 4.5-6) 4.53 11.49 -29.21 2 4 1 46 370.473 6

Activity (Go SEA)

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