UCSF

ZINC17137989

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 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) 1.08 5.12 -57.96 0 10 -1 123 461.454 5
Ref Reference (pH 7) 1.08 4.94 -59.74 0 10 -1 123 461.454 5
Mid Mid (pH 6-8) 0.63 7.65 -18.78 1 10 0 120 462.462 5

Activity (Go SEA)

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