UCSF

ZINC37823153

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 0.70 3.92 -42.95 3 4 1 57 247.318 3
Hi High (pH 8-9.5) 0.70 2.63 -9.46 2 4 0 53 246.31 3

Activity (Go SEA)

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