UCSF

ZINC13670677

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 28 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) 4.66 8.72 -14.85 1 5 0 66 394.496 5
Hi High (pH 8-9.5) 4.66 8.8 -44.03 0 5 -1 69 393.488 5

Activity (Go SEA)

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