UCSF

ZINC35698437

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 21 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) 2.24 9.96 -32.15 2 4 1 42 324.495 5
Mid Mid (pH 6-8) 2.70 8.66 -33.21 1 4 0 45 323.487 5

Activity (Go SEA)

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