UCSF

ZINC43400978

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) -0.05 5.49 -88.59 5 5 2 72 263.389 3
Mid Mid (pH 6-8) -0.05 5.54 -36.43 4 5 1 70 262.381 3
Lo Low (pH 4.5-6) -0.05 5.83 -164.06 6 5 3 73 264.397 3

Activity (Go SEA)

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