UCSF

ZINC21961449

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 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) 0.22 2.29 -47.32 4 6 1 78 268.337 6
Hi High (pH 8-9.5) 0.22 -0.24 -10.77 3 6 0 77 267.329 6

Activity (Go SEA)

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