UCSF

ZINC34627228

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 23 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) 1.00 4.52 -45.68 3 6 1 70 319.429 5
Hi High (pH 8-9.5) 1.00 2.35 -10.14 2 6 0 69 318.421 5

Activity (Go SEA)

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