UCSF

ZINC21789045

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 28 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) 3.84 11.93 -43.78 1 6 1 61 393.389 7
Hi High (pH 8-9.5) 3.84 9.4 -13.09 0 6 0 60 392.381 7

Activity (Go SEA)

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