UCSF

ZINC43479419

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 4.24 6.48 -32.59 3 3 1 46 299.781 3
Hi High (pH 8-9.5) 4.24 6.9 -42.06 1 3 -1 48 297.765 3
Mid Mid (pH 6-8) 4.24 6.13 -9.17 2 3 0 45 298.773 3

Activity (Go SEA)

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