UCSF

ZINC41680717

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 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) -0.54 3.88 -42.22 2 6 1 78 241.315 7
Hi High (pH 8-9.5) -0.35 4.74 -55.04 1 6 0 84 240.307 7

Activity (Go SEA)

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