UCSF

ZINC36839973

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 18 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) -0.19 6.62 -29.44 2 5 0 77 256.346 6
Hi High (pH 8-9.5) -0.19 5.55 -51.01 1 5 -1 72 255.338 6

Activity (Go SEA)

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