UCSF

ZINC21815334

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) 3.70 6.14 -36.36 3 3 1 37 318.268 6
Hi High (pH 8-9.5) 3.70 6.82 -48.01 2 3 0 40 317.26 6
Hi High (pH 8-9.5) 3.70 6.05 -31.03 2 3 0 43 317.26 6
Mid Mid (pH 6-8) 3.70 8.33 -79.18 3 3 1 44 318.268 6

Activity (Go SEA)

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