UCSF

ZINC21720793

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 29 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) 2.78 9.59 -45.46 2 7 1 78 397.499 7
Hi High (pH 8-9.5) 2.78 8.52 -14.42 1 7 0 76 396.491 7

Activity (Go SEA)

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