UCSF

ZINC21814837

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) 3.13 8.05 -92.61 3 3 2 24 360.315 5
Hi High (pH 8-9.5) 3.13 4.55 -2.09 1 3 0 19 358.299 5
Mid Mid (pH 6-8) 3.13 6.54 -31.42 2 3 1 20 359.307 5

Activity (Go SEA)

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