UCSF

ZINC37144700

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 0.12 6.33 -23.61 2 5 0 64 290.392 5
Mid Mid (pH 6-8) 0.12 6.77 -39.63 3 5 1 65 291.4 5

Activity (Go SEA)

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