UCSF

ZINC45660362

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) 1.23 2.5 -30.91 3 3 1 37 213.345 5
Lo Low (pH 4.5-6) 1.23 3.66 -103.24 4 3 2 41 214.353 5
Lo Low (pH 4.5-6) 1.23 1.24 -32.98 3 3 1 40 213.345 5

Activity (Go SEA)

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