UCSF

ZINC36250140

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 24 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) 1.41 6.31 -17.5 0 6 0 53 339.48 7
Mid Mid (pH 6-8) 1.41 8.48 -48.62 1 6 1 54 340.488 7

Activity (Go SEA)

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