UCSF

ZINC15919877

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 27 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) 3.11 7.35 -65.49 1 5 -1 81 364.421 6
Mid Mid (pH 6-8) 3.56 6.31 -29.96 2 5 0 78 365.429 5
Mid Mid (pH 6-8) 2.53 7.28 -22.95 1 5 0 75 365.429 6

Activity (Go SEA)

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