UCSF

ZINC36998518

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 2.86 3.76 -14.08 3 5 0 73 252.362 9
Lo Low (pH 4.5-6) 2.86 3.79 -46.07 4 5 1 78 253.37 9

Activity (Go SEA)

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