UCSF

ZINC44224793

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 12 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) -0.57 1.79 -55.33 1 4 -1 59 171.22 4
Lo Low (pH 4.5-6) -0.57 4.4 -117.51 3 4 1 61 173.236 4
Lo Low (pH 4.5-6) -0.57 3.07 -51.05 2 4 0 57 172.228 4

Activity (Go SEA)

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