UCSF

ZINC43800536

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 18 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) -0.07 1.16 -57.19 4 5 1 75 251.306 4
Hi High (pH 8-9.5) -0.07 -0.19 -12.43 3 5 0 71 250.298 4

Activity (Go SEA)

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