UCSF

ZINC44727058

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) 1.91 9.41 -31.42 2 4 1 42 322.479 2
Mid Mid (pH 6-8) 2.37 8.46 -33.83 1 4 0 45 321.471 2

Activity (Go SEA)

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