UCSF

ZINC21799508

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 4.13 9.29 -53.2 1 3 0 54 283.371 2
Hi High (pH 8-9.5) 4.13 9.01 -57.77 0 3 -1 53 282.363 2

Activity (Go SEA)

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