UCSF

ZINC37803302

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 0.03 0.04 -39.07 5 6 1 100 286.377 8
Hi High (pH 8-9.5) 0.03 -0.42 -11.55 4 6 0 99 285.369 8

Activity (Go SEA)

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