UCSF

ZINC19478196

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 14 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) 1.29 5.38 -15.84 2 3 0 42 207.302 2
Lo Low (pH 4.5-6) 1.29 5.72 -46.35 3 3 1 43 208.31 2

Activity (Go SEA)

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