UCSF

ZINC37839809

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -0.42 4.84 -43.86 3 6 1 71 291.375 3
Hi High (pH 8-9.5) -0.42 2.44 -11.02 2 6 0 70 290.367 3

Activity (Go SEA)

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