UCSF

ZINC36882077

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.98 5.63 -8.72 1 3 0 46 186.214 1
Hi High (pH 8-9.5) 2.43 2.78 -49.38 0 3 -1 49 185.206 1

Activity (Go SEA)

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