UCSF

ZINC36829111

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 19 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) -0.90 -3.6 -15.04 2 7 0 94 287.341 4
Hi High (pH 8-9.5) -0.44 -5.63 -48.02 1 7 -1 97 286.333 4
Lo Low (pH 4.5-6) -0.90 -1.34 -51.04 3 7 1 95 288.349 4

Activity (Go SEA)

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