UCSF

ZINC19478133

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 20 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) 1.10 6.32 -45.39 3 4 1 51 276.404 5
Hi High (pH 8-9.5) 1.10 4.13 -7.28 2 4 0 50 275.396 5
Mid Mid (pH 6-8) 1.10 6.71 -103.25 4 4 2 52 277.412 5

Activity (Go SEA)

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