UCSF

ZINC54364769

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2010 19 Yes

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) 2.75 7.29 -39.83 1 3 1 23 290.786 9
Mid Mid (pH 6-8) 2.75 5.14 -4.97 0 3 0 22 289.778 9

Activity (Go SEA)

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