UCSF

ZINC54847254

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 22 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) 2.37 7.74 -37.97 2 5 1 51 307.462 8
Hi High (pH 8-9.5) 2.37 5.63 -9.2 1 5 0 50 306.454 8

Activity (Go SEA)

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