UCSF

ZINC09015007

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 34 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) 4.27 7.93 -17.54 3 8 0 109 456.502 8
Mid Mid (pH 6-8) 3.50 10.14 -31.6 3 8 0 105 456.502 8

Activity (Go SEA)

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