UCSF

ZINC36978749

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 0.98 5.06 -50.23 2 6 -1 98 285.364 10
Lo Low (pH 4.5-6) 0.98 3.08 -12.71 3 6 0 95 286.372 10

Activity (Go SEA)

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