UCSF

ZINC20189644

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 19 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) 2.88 5.74 -36.71 3 3 1 37 263.405 5
Hi High (pH 8-9.5) 2.88 5.12 -63.12 2 3 0 43 262.397 5
Mid Mid (pH 6-8) 2.88 4.33 -41.48 3 3 1 40 263.405 5

Activity (Go SEA)

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