UCSF

ZINC20552839

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 21 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) 3.76 9.62 -35.64 2 2 1 20 289.487 8
Mid Mid (pH 6-8) 3.76 11.08 -28.93 2 2 1 16 289.487 8
Lo Low (pH 4.5-6) 3.76 11.56 -107.43 3 2 2 21 290.495 8

Activity (Go SEA)

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