UCSF

ZINC20438150

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 17 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) 2.23 6.72 -35.34 2 3 1 30 239.383 7
Mid Mid (pH 6-8) 2.23 5.73 -39.43 2 3 1 33 239.383 7
Mid Mid (pH 6-8) 2.23 8.04 -115.14 3 3 2 34 240.391 7

Activity (Go SEA)

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