UCSF

ZINC15919861

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 26 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) 2.64 6.59 -65.57 1 5 -1 81 350.394 5
Mid Mid (pH 6-8) 3.09 5.53 -24.25 2 5 0 78 351.402 4
Mid Mid (pH 6-8) 2.06 6.53 -17.96 1 5 0 75 351.402 5

Activity (Go SEA)

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