UCSF

ZINC34481780

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 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) 4.04 8.5 -12.49 2 6 0 93 470.606 3
Hi High (pH 8-9.5) 4.04 9.25 -61.66 1 6 -1 96 469.598 3

Activity (Go SEA)

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