UCSF

ZINC47728914

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2010 27 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) 2.84 6.46 -57.55 4 6 1 75 407.844 9
Mid Mid (pH 6-8) 2.84 4.29 -15.71 3 6 0 73 406.836 9

Activity (Go SEA)

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