UCSF

ZINC03877531

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 28 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) 5.67 1.25 -9.32 1 4 0 47 374.415 5
Mid Mid (pH 6-8) 5.67 1.45 -35.16 2 4 1 48 375.423 5

Activity (Go SEA)

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