UCSF

ZINC35022070

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 4.04 9.28 -44.13 1 3 1 31 329.258 8
Hi High (pH 8-9.5) 4.04 7.24 -9.37 0 3 0 30 328.25 8

Activity (Go SEA)

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