UCSF

ZINC09600903

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2007 32 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) 4.81 -2.95 -16.42 2 6 0 90 462.914 4
Mid Mid (pH 6-8) 4.22 -3.06 -22.32 1 6 0 87 462.914 4

Activity (Go SEA)

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