UCSF

ZINC36769680

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) -0.32 3.1 -48.96 3 5 1 59 293.387 4
Hi High (pH 8-9.5) -0.32 2.33 -6.4 2 5 0 57 292.379 4
Lo Low (pH 4.5-6) -0.32 5.02 -139.13 4 5 2 60 294.395 4

Activity (Go SEA)

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