UCSF

ZINC38241514

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 29 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) 3.08 9.01 -55.28 0 5 -1 70 398.385 5
Lo Low (pH 4.5-6) 3.08 8.26 -13.11 1 5 0 67 399.393 5

Activity (Go SEA)

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