UCSF

ZINC25459742

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 3.59 10.71 -45.57 2 3 1 34 341.45 5
Mid Mid (pH 6-8) 3.59 8.62 -9.98 1 3 0 32 340.442 5

Activity (Go SEA)

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