UCSF

ZINC26143536

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 23 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) 3.37 6.88 -14.98 5 7 0 119 346.441 4
Hi High (pH 8-9.5) 2.57 5.86 -63.27 4 7 -1 123 345.433 5
Mid Mid (pH 6-8) 3.43 5.68 -39.56 6 7 1 122 347.449 4

Activity (Go SEA)

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