UCSF

ZINC36280308

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 16 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) 0.23 1.69 -56.44 3 7 0 106 226.236 6
Mid Mid (pH 6-8) 0.23 2.19 -58.07 4 7 1 107 227.244 6

Activity (Go SEA)

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