UCSF

ZINC60027382

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 35 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) 2.63 9.2 -44.45 3 7 1 88 477.581 5
Hi High (pH 8-9.5) 2.63 7.49 -6.92 2 7 0 86 476.573 5

Activity (Go SEA)

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