UCSF

ZINC36130329

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) 0.44 0.69 -55.02 1 5 -1 76 289.233 5
Lo Low (pH 4.5-6) -0.02 1.5 -11.6 2 5 0 73 290.241 5

Activity (Go SEA)

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