UCSF

ZINC15919880

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 28 No

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) 3.71 7.39 -65 1 5 -1 81 378.448 6
Mid Mid (pH 6-8) 4.15 6.31 -29.62 2 5 0 78 379.456 5
Mid Mid (pH 6-8) 3.12 7.29 -23.31 1 5 0 75 379.456 6

Activity (Go SEA)

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