UCSF

ZINC03850729

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 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 -1.95 -20.32 6 9 0 165 420.414 5
Ref Reference (pH 7) 0.32 -2.59 -20.04 6 9 0 165 420.414 5
Hi High (pH 8-9.5) 0.32 -1.49 -61.54 5 9 -1 168 419.406 5
Hi High (pH 8-9.5) 0.32 -0.85 -61.86 5 9 -1 168 419.406 5

Activity (Go SEA)

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