UCSF

ZINC36876589

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 3.56 8.28 -36.07 3 3 1 45 270.4 2
Hi High (pH 8-9.5) 3.56 7.35 -6.61 2 3 0 41 269.392 2
Lo Low (pH 4.5-6) 3.56 8.78 -109.51 4 3 2 47 271.408 2

Activity (Go SEA)

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