UCSF

ZINC19268106

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 17 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) 2.28 5.92 -90.14 4 3 2 35 243.439 7
Hi High (pH 8-9.5) 2.28 3.54 -41.13 3 3 1 34 242.431 7
Mid Mid (pH 6-8) 2.28 5.2 -110.22 4 3 2 35 243.439 7

Activity (Go SEA)

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