UCSF

ZINC37827025

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.34 1.45 -41.74 3 4 1 51 212.317 3
Hi High (pH 8-9.5) -0.34 1.15 -5.57 2 4 0 50 211.309 3
Mid Mid (pH 6-8) -0.34 3.65 -95.98 4 4 2 52 213.325 3

Activity (Go SEA)

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