UCSF

ZINC09580927

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2007 30 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) 3.72 -0.48 -17.58 1 6 0 76 429.9 9
Mid Mid (pH 6-8) 3.14 -0.59 -26.88 0 6 0 72 429.9 9

Activity (Go SEA)

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