UCSF

ZINC08926855

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 31 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) 2.96 8.08 -39.18 0 7 -1 88 444.891 9
Mid Mid (pH 6-8) 3.40 6.61 -30.08 1 7 0 85 445.899 8

Activity (Go SEA)

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