UCSF

ZINC09088743

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 28 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) 2.38 6.73 -17.18 1 10 0 116 400.42 3
Ref Reference (pH 7) 1.46 7.7 -25.59 1 10 0 113 400.42 4

Activity (Go SEA)

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