UCSF

ZINC08996997

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 37 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) 5.90 12.45 -63.94 0 7 -1 92 513.595 6
Mid Mid (pH 6-8) 6.35 12.32 -23.8 1 7 0 89 514.603 5

Activity (Go SEA)

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