UCSF

ZINC36236142

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 19 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) 1.67 4.12 -44.79 3 5 1 64 265.333 5
Hi High (pH 8-9.5) 1.67 2.66 -10.66 2 5 0 60 264.325 5

Activity (Go SEA)

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