UCSF

ZINC37850041

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 14 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) 0.27 0.49 -44.14 4 3 1 57 196.27 6
Hi High (pH 8-9.5) 0.27 -0.86 -6.17 3 3 0 52 195.262 6

Activity (Go SEA)

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