UCSF

ZINC36996649

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.36 6.82 -32.98 2 4 1 35 291.415 5
Hi High (pH 8-9.5) 2.36 4.57 -4.76 1 4 0 34 290.407 5
Lo Low (pH 4.5-6) 2.36 7.99 -107.33 3 4 2 40 292.423 5

Activity (Go SEA)

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