UCSF

ZINC19364700

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 14 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) -0.06 -0.04 -84.11 4 4 2 40 204.362 9
Hi High (pH 8-9.5) -0.06 -1.52 -38.75 3 4 1 35 203.354 9
Mid Mid (pH 6-8) -0.06 2.35 -173 5 4 3 41 205.37 9

Activity (Go SEA)

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