UCSF

ZINC31851666

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 26 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) 3.94 12.17 -18.52 0 4 0 38 363.486 4
Lo Low (pH 4.5-6) 3.94 12.66 -38.31 1 4 1 39 364.494 4

Activity (Go SEA)

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