UCSF

ZINC20411616

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 25 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) 3.52 7.93 -54.93 2 5 1 64 340.399 4
Mid Mid (pH 6-8) 3.52 8.38 -38.73 1 5 0 67 339.391 4

Activity (Go SEA)

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