UCSF

ZINC37466370

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 15 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) -0.01 5.27 -45.51 3 2 1 41 199.277 3
Hi High (pH 8-9.5) -0.01 4.94 -4.86 2 2 0 39 198.269 3
Lo Low (pH 4.5-6) -0.01 5.74 -108.58 4 2 2 42 200.285 3

Activity (Go SEA)

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