UCSF

ZINC01514670

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 19 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) 2.26 -1.17 -20.03 1 4 0 58 251.289 2
Lo Low (pH 4.5-6) 2.26 -1.62 -40.94 2 4 1 59 252.297 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.