UCSF

ZINC34446582

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 16 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) 2.40 4.6 -10.75 1 3 0 53 248.591 2
Hi High (pH 8-9.5) 2.59 2.93 -28.23 0 3 -1 59 247.583 2

Activity (Go SEA)

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