UCSF

ZINC21040010

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 30 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) 3.14 14.02 -9.98 0 7 0 61 401.518 4
Lo Low (pH 4.5-6) 3.14 14.34 -33.96 1 7 1 63 402.526 4

Activity (Go SEA)

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