UCSF

ZINC40189929

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 21 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) 3.23 8.04 -9.29 1 4 0 47 283.375 4
Lo Low (pH 4.5-6) 3.23 8.47 -30.21 2 4 1 48 284.383 4

Activity (Go SEA)

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