UCSF

ZINC36003936

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2009 34 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) 3.80 7.63 -19.07 2 10 0 103 473.574 9
Mid Mid (pH 6-8) 3.80 9.31 -53.09 3 10 1 105 474.582 9

Activity (Go SEA)

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