UCSF

ZINC40685536

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 29 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) 0.43 -0.11 -46.2 6 8 1 124 456.025 8
Hi High (pH 8-9.5) 0.43 -2.27 -16.63 5 8 0 122 455.017 8

Activity (Go SEA)

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