UCSF

ZINC06757462

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.21 9.67 -16.5 2 9 0 103 420.473 7
Lo Low (pH 4.5-6) 3.39 10.03 -38.13 3 9 1 108 421.481 7

Activity (Go SEA)

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