UCSF

ZINC22574788

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 6.15 16.86 -49.27 3 5 1 64 465.964 2
Mid Mid (pH 6-8) 1.74 9.2 -32.35 2 7 0 93 405.454 8

Activity (Go SEA)

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