UCSF

ZINC36456523

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 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) 2.11 5.06 -45.66 2 2 1 20 215.679 1
Hi High (pH 8-9.5) 2.11 3.75 -2.7 1 2 0 15 214.671 1

Activity (Go SEA)

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