UCSF

ZINC37811475

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.42 6.93 -98.07 4 4 2 52 297.468 5
Hi High (pH 8-9.5) 1.42 4.73 -7.93 2 4 0 50 295.452 5
Mid Mid (pH 6-8) 1.42 5.04 -44.35 3 4 1 51 296.46 5

Activity (Go SEA)

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