UCSF

ZINC59751219

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 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) 3.41 5.89 -32.31 2 2 1 26 200.346 4
Hi High (pH 8-9.5) 3.41 4.81 -1.37 1 2 0 21 199.338 4

Activity (Go SEA)

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