UCSF

ZINC36146721

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 33 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) 3.29 7.23 -44.22 2 7 1 68 475.009 10
Lo Low (pH 4.5-6) 3.29 9.47 -112.1 3 7 2 69 476.017 10

Activity (Go SEA)

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