UCSF

ZINC37825785

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 No

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) 0.06 1.32 -52.2 3 5 1 82 285.389 4
Hi High (pH 8-9.5) 0.06 1.06 -14.45 2 5 0 80 284.381 4

Activity (Go SEA)

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