UCSF

ZINC19228918

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 23 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) 2.71 7.37 -40.01 2 4 1 37 322.517 4
Mid Mid (pH 6-8) 2.71 9.87 -100.6 3 4 2 38 323.525 4
Lo Low (pH 4.5-6) 2.71 7.38 -37.62 2 4 1 37 322.517 4

Activity (Go SEA)

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