UCSF

ZINC37840958

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.40 -0.13 -17.04 1 8 0 100 315.351 5
Hi High (pH 8-9.5) 0.06 -2.19 -50.25 0 8 -1 103 314.343 5
Lo Low (pH 4.5-6) -0.40 1.99 -56.79 2 8 1 101 316.359 5

Activity (Go SEA)

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