UCSF

ZINC43402118

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) -0.45 -0.91 -127.07 4 7 2 105 290.389 4
Hi High (pH 8-9.5) -0.45 -3.4 -56.24 3 7 1 104 289.381 4

Activity (Go SEA)

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