UCSF

ZINC25449507

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.73 7.1 -19.37 2 7 0 93 396.472 7
Hi High (pH 8-9.5) 3.55 6.03 -44.51 1 7 -1 100 395.464 7

Activity (Go SEA)

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