UCSF

ZINC37823018

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -1.03 3.18 -86.53 4 5 2 67 212.297 4
Hi High (pH 8-9.5) -1.03 2.45 -6.62 2 5 0 64 210.281 4
Mid Mid (pH 6-8) -1.03 2.76 -44.52 3 5 1 66 211.289 4

Activity (Go SEA)

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