UCSF

ZINC25312263

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 29 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) 4.54 11.52 -52.47 2 4 1 48 385.487 8
Hi High (pH 8-9.5) 4.54 10.05 -9.68 1 4 0 43 384.479 8

Activity (Go SEA)

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