UCSF

ZINC38592493

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 35 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) 5.29 13.99 -13.35 0 6 0 73 468.553 7
Lo Low (pH 4.5-6) 5.29 14.45 -40.37 1 6 1 74 469.561 7

Activity (Go SEA)

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