UCSF

ZINC36151947

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 22 No

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) 4.47 7.24 -48.8 2 8 -1 131 300.25 5
Mid Mid (pH 6-8) 4.47 8.25 -112.3 1 8 -2 133 299.242 5

Activity (Go SEA)

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