UCSF

ZINC21800250

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 31 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) 4.12 11.89 -58.11 2 6 1 61 419.549 5
Mid Mid (pH 6-8) 4.12 9.5 -19.03 1 6 0 59 418.541 5
Mid Mid (pH 6-8) 4.12 10.06 -35.77 2 6 1 61 419.549 5

Activity (Go SEA)

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