UCSF

ZINC36722105

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 20 No

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) 3.12 8.1 -45.45 2 5 1 72 279.36 5
Hi High (pH 8-9.5) 3.12 6.9 -5.72 1 5 0 67 278.352 5

Activity (Go SEA)

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