UCSF

ZINC13409670

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 30 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) 0.32 -3.74 -16.93 6 9 0 165 420.414 5
Hi High (pH 8-9.5) 0.32 -0.48 -53.9 5 9 -1 168 419.406 5
Hi High (pH 8-9.5) 0.32 -2.64 -59.87 5 9 -1 168 419.406 5

Activity (Go SEA)

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