UCSF

ZINC06474339

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 11 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) -0.82 0.99 -7.63 4 4 0 71 151.169 2
Mid Mid (pH 6-8) 0.01 1.9 -17.45 4 4 0 75 151.169 2

Activity (Go SEA)

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