UCSF

ZINC34670137

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 32 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) 3.56 9.93 -47.36 2 5 1 46 446.562 10
Hi High (pH 8-9.5) 3.56 7.75 -11.15 1 5 0 45 445.554 10
Lo Low (pH 4.5-6) 3.56 10.04 -49.06 2 5 1 46 446.562 10

Activity (Go SEA)

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