UCSF

ZINC17306770

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 25 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) 1.85 5.8 -51.48 2 8 1 97 371.483 6
Mid Mid (pH 6-8) 1.85 3.48 -12.72 1 8 0 96 370.475 6

Activity (Go SEA)

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