UCSF

ZINC40976779

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 30 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) 1.72 0.77 -57.58 4 11 -1 175 423.35 11
Hi High (pH 8-9.5) 1.72 1.8 -119.99 3 11 -2 178 422.342 11

Activity (Go SEA)

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