UCSF

ZINC37790571

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 No

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) 0.25 7.12 -52.83 1 4 1 42 213.301 4
Mid Mid (pH 6-8) 0.25 4.92 -16.21 0 4 0 41 212.293 4

Activity (Go SEA)

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