UCSF

ZINC21794329

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 4.46 7.46 -39.81 3 2 1 29 281.508 2
Hi High (pH 8-9.5) 4.46 7.42 -31.21 3 2 1 29 281.508 2
Mid Mid (pH 6-8) 4.46 8.49 -104.88 4 2 2 33 282.516 2

Activity (Go SEA)

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