UCSF

ZINC37492542

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 31 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) 2.66 5.9 -16.58 2 6 0 74 441.528 6
Mid Mid (pH 6-8) 2.66 8.17 -55.52 3 6 1 76 442.536 6

Activity (Go SEA)

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