UCSF

ZINC37001750

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 15 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) -0.30 2.41 -90.17 5 4 2 61 213.325 3
Hi High (pH 8-9.5) -0.11 0.4 -50.35 4 4 1 67 212.317 3
Hi High (pH 8-9.5) -0.30 2.1 -37.91 4 4 1 60 212.317 3
Hi High (pH 8-9.5) -0.11 0.09 -39.83 3 4 0 66 211.309 3

Activity (Go SEA)

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