UCSF

ZINC38282869

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 32 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) 2.98 11.45 -66.44 1 7 0 82 432.524 8
Lo Low (pH 4.5-6) 2.98 10.7 -45.78 2 7 1 79 433.532 8

Activity (Go SEA)

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