UCSF

ZINC08738783

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 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) 5.84 9.28 -8.71 2 4 0 58 394.833 5
Hi High (pH 8-9.5) 5.84 10.06 -42.25 1 4 -1 61 393.825 5
Hi High (pH 8-9.5) 5.84 10.05 -53.39 1 4 -1 61 393.825 5

Activity (Go SEA)

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