UCSF

ZINC35017350

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 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) 0.90 8.52 -50.48 2 11 -1 158 463.492 11
Mid Mid (pH 6-8) 1.65 9.62 -28.87 3 11 0 152 464.5 12

Activity (Go SEA)

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