UCSF

ZINC36769628

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.68 5.88 -43.63 3 3 1 40 277.432 5
Hi High (pH 8-9.5) 1.68 5.12 -2.78 2 3 0 38 276.424 5
Lo Low (pH 4.5-6) 1.68 7.8 -133.04 4 3 2 41 278.44 5

Activity (Go SEA)

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