UCSF

ZINC37825675

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) 0.02 2.61 -52.77 2 5 1 71 285.389 3
Hi High (pH 8-9.5) 0.02 1.35 -15.28 1 5 0 66 284.381 3

Activity (Go SEA)

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