UCSF

ZINC37222044

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 2.06 10.46 -107.83 3 4 2 39 280.46 8
Mid Mid (pH 6-8) 2.06 10.98 -165.59 4 4 3 40 281.468 8

Activity (Go SEA)

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