UCSF

ZINC21881776

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 0.82 6.52 -101.27 4 7 2 80 389.544 8
Hi High (pH 8-9.5) 0.82 4.15 -48.03 3 7 1 79 388.536 8

Activity (Go SEA)

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