UCSF

ZINC36786043

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 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) 2.42 8.79 -46.67 3 4 1 49 285.415 5
Hi High (pH 8-9.5) 2.42 8.34 -6.83 2 4 0 47 284.407 5
Lo Low (pH 4.5-6) 2.42 8.82 -100.87 4 4 2 50 286.423 5

Activity (Go SEA)

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