UCSF

ZINC19339196

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 20 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) 2.81 7.47 -38.64 1 3 1 21 274.432 3
Hi High (pH 8-9.5) 2.81 5.16 -3.55 0 3 0 19 273.424 3
Lo Low (pH 4.5-6) 2.81 7.92 -84.87 2 3 2 22 275.44 3

Activity (Go SEA)

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