UCSF

ZINC05142347

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 30 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) 5.03 11.89 -17.83 0 5 0 55 417.534 6
Lo Low (pH 4.5-6) 5.03 12.17 -53.06 1 5 1 57 418.542 6

Activity (Go SEA)

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