UCSF

ZINC06051214

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2006 29 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) 3.57 11.07 -13.17 1 9 0 100 401.467 9
Lo Low (pH 4.5-6) 3.74 11.23 -34.58 2 9 1 105 402.475 9

Activity (Go SEA)

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