UCSF

ZINC34986805

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 40 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) 5.99 14.52 -13.97 2 6 0 74 536.72 10
Lo Low (pH 4.5-6) 5.99 14.95 -48.17 3 6 1 76 537.728 10

Activity (Go SEA)

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