UCSF

ZINC25383530

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 34 Yes

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) 3.99 10.26 -19.97 3 6 0 77 492.67 9
Mid Mid (pH 6-8) 3.99 12.7 -53.34 4 6 1 78 493.678 9

Activity (Go SEA)

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