UCSF

ZINC40538655

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 14 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) -0.22 1.27 -44.53 3 4 1 53 194.258 2
Hi High (pH 8-9.5) -0.22 -0.04 -7.09 2 4 0 48 193.25 2
Mid Mid (pH 6-8) -0.22 1.58 -93.64 4 4 2 54 195.266 2

Activity (Go SEA)

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