UCSF

ZINC21813056

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) 3.49 6.26 -44.19 2 3 1 29 318.268 6
Hi High (pH 8-9.5) 3.49 4.98 -3.18 1 3 0 24 317.26 6
Mid Mid (pH 6-8) 3.49 7.22 -36.48 2 3 1 26 318.268 6
Lo Low (pH 4.5-6) 3.49 8.6 -114.19 3 3 2 30 319.276 6

Activity (Go SEA)

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