UCSF

ZINC04451120

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 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) 2.51 9.04 -9.01 0 5 0 80 318.398 6
Lo Low (pH 4.5-6) 2.51 9.26 -32.28 1 5 1 81 319.406 6

Activity (Go SEA)

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