UCSF

ZINC43425016

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) -0.26 -1.63 -45.88 4 4 1 60 215.317 3
Hi High (pH 8-9.5) -0.26 -2.02 -3.98 3 4 0 59 214.309 3
Mid Mid (pH 6-8) -0.26 0.59 -107.55 5 4 2 62 216.325 3

Activity (Go SEA)

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