UCSF

ZINC37854561

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 Yes

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) -0.56 -0.33 -50.7 3 5 1 62 252.338 6
Hi High (pH 8-9.5) -0.56 -1.7 -7.1 2 5 0 58 251.33 6
Mid Mid (pH 6-8) -0.56 1.93 -117.47 4 5 2 63 253.346 6

Activity (Go SEA)

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