UCSF

ZINC06800521

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 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) 2.03 7.33 -51.67 1 7 1 73 370.495 5
Mid Mid (pH 6-8) 2.03 5.12 -13.26 0 7 0 72 369.487 5

Activity (Go SEA)

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