UCSF

ZINC37033174

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) -0.48 -2.39 -57.92 5 6 1 103 244.296 4
Hi High (pH 8-9.5) -0.48 -2.32 -75.17 4 6 0 105 243.288 4
Hi High (pH 8-9.5) -0.48 -2.71 -51.54 3 6 -1 103 242.28 4
Hi High (pH 8-9.5) -0.48 -2.79 -17.56 4 6 0 101 243.288 4

Activity (Go SEA)

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