UCSF

ZINC37001332

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.39 4.83 -102.15 5 4 2 61 245.411 8
Hi High (pH 8-9.5) 1.58 2.66 -51 4 4 1 67 244.403 8
Hi High (pH 8-9.5) 1.39 4.49 -34.11 4 4 1 60 244.403 8
Hi High (pH 8-9.5) 1.58 2.37 -25.41 3 4 0 66 243.395 8

Activity (Go SEA)

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