UCSF

ZINC28539458

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 27 Yes

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) 6.72 13.72 -15.25 0 3 0 35 415.707 4
Lo Low (pH 4.5-6) 6.72 14.13 -36.15 1 3 1 36 416.715 4

Activity (Go SEA)

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