UCSF

ZINC02351680

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 34 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) 4.45 11.11 -23.67 2 7 0 109 476.554 10
Hi High (pH 8-9.5) 4.45 11.9 -69.67 1 7 -1 111 475.546 10

Activity (Go SEA)

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