UCSF

ZINC37795085

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) 0.44 4.12 -46.57 1 6 -1 96 228.224 5
Lo Low (pH 4.5-6) 0.44 2.12 -9.23 2 6 0 93 229.232 5

Activity (Go SEA)

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