UCSF

ZINC20418843

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 3.42 8.85 -115.6 3 3 2 30 351.716 9
Hi High (pH 8-9.5) 3.42 5.04 -4 1 3 0 24 349.7 9
Mid Mid (pH 6-8) 3.42 7.56 -36.68 2 3 1 26 350.708 9

Activity (Go SEA)

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