UCSF

ZINC40447585

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 27 No

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) -3.90 2.3 -49.46 1 11 1 143 375.365 6
Hi High (pH 8-9.5) 0.15 2.03 -15.9 1 11 0 143 374.357 6

Activity (Go SEA)

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