UCSF

ZINC20219247

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 No

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) 1.96 7.89 -75.07 1 9 0 102 468.506 8
Hi High (pH 8-9.5) 1.96 5.35 -60.49 0 9 -1 101 467.498 8
Lo Low (pH 4.5-6) 1.96 7.07 -55.19 2 9 1 99 469.514 8

Activity (Go SEA)

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