UCSF

ZINC37802771

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -0.23 2.68 -45.45 3 5 1 64 277.392 4
Hi High (pH 8-9.5) -0.23 2.45 -10.98 2 5 0 62 276.384 4
Mid Mid (pH 6-8) -0.23 2.78 -84.59 4 5 2 65 278.4 4
Mid Mid (pH 6-8) -0.23 4.99 -102.5 4 5 2 65 278.4 4
Lo Low (pH 4.5-6) -0.23 4.91 -188.41 5 5 3 67 279.408 4

Activity (Go SEA)

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