UCSF

ZINC54546306

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2010 26 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) 3.53 12.03 -47.81 1 4 1 34 353.486 5
Hi High (pH 8-9.5) 3.53 10.16 -11.65 0 4 0 33 352.478 5

Activity (Go SEA)

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