UCSF

ZINC14508078

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 17 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) 0.18 6.68 -142.95 1 6 -2 113 231.163 2
Lo Low (pH 4.5-6) 1.48 4.86 -87.19 2 6 -1 115 232.171 2

Activity (Go SEA)

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