UCSF

ZINC34476903

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 31 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) -0.65 4.63 -63.48 2 12 -1 170 469.477 9
Hi High (pH 8-9.5) -0.47 4.99 -108.15 1 12 -2 177 468.469 9

Activity (Go SEA)

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