UCSF

ZINC34974584

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 12 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) -0.63 1.01 -5.98 1 5 0 72 168.152 2
Mid Mid (pH 6-8) -0.17 -1.66 -35.2 0 5 -1 75 167.144 2

Activity (Go SEA)

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