UCSF

ZINC37033995

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.02 -2.13 -49 5 7 1 112 314.387 4
Hi High (pH 8-9.5) -0.02 -3.37 -46.68 3 7 -1 110 312.371 4
Hi High (pH 8-9.5) -0.02 -2.07 -64.72 4 7 0 114 313.379 4

Activity (Go SEA)

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