UCSF

ZINC39885497

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 26 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) 4.39 9.43 -18.68 1 5 0 64 389.477 7
Hi High (pH 8-9.5) 4.45 7.77 -54.88 0 5 -1 70 388.469 7

Activity (Go SEA)

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