UCSF

ZINC41735145

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 21 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) 2.63 9.07 -41.28 3 2 1 33 303.857 2
Hi High (pH 8-9.5) 2.63 8.76 -4.52 2 2 0 31 302.849 2

Activity (Go SEA)

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