UCSF

ZINC37851756

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 2.34 5.94 -102.82 4 4 2 51 323.264 9
Mid Mid (pH 6-8) 2.34 3.46 -42.09 3 4 1 49 322.256 9

Activity (Go SEA)

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