UCSF

ZINC34977200

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) -0.53 2.38 -40.53 2 5 1 46 242.343 2
Lo Low (pH 4.5-6) -0.53 1.71 -44.22 2 5 1 49 242.343 2
Lo Low (pH 4.5-6) -0.53 3.68 -117.61 3 5 2 51 243.351 2

Activity (Go SEA)

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