UCSF

ZINC01653135

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 34 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) 1.91 -10.06 -26.55 4 10 0 150 502.574 8
Hi High (pH 8-9.5) 1.91 -9.48 -55.16 3 10 -1 152 501.566 8
Hi High (pH 8-9.5) 1.91 -8.9 -111.43 2 10 -2 154 500.558 8

Activity (Go SEA)

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