UCSF

ZINC25510012

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 23 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) 2.49 4.71 -14.07 2 5 0 75 334.372 5
Mid Mid (pH 6-8) 2.49 4.79 -49.55 1 5 -1 77 333.364 5

Activity (Go SEA)

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