UCSF

ZINC20107780

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 28 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) 4.45 12.08 -11.74 1 4 0 37 432.376 8
Lo Low (pH 4.5-6) 4.45 12.52 -46.48 2 4 1 39 433.384 8

Activity (Go SEA)

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