UCSF

ZINC35500606

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 21 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) 3.39 6.22 -60.89 3 4 1 63 352.183 3
Hi High (pH 8-9.5) 3.85 2.61 -45.78 1 4 -1 61 350.167 3
Mid Mid (pH 6-8) 3.85 3.59 -78.62 2 4 0 66 351.175 3

Activity (Go SEA)

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