UCSF

ZINC34468666

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 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) 2.28 6.06 -62.14 5 9 1 125 478.573 12
Hi High (pH 8-9.5) 2.28 4.64 -20.4 4 9 0 121 477.565 12

Activity (Go SEA)

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