UCSF

ZINC05562443

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 28 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) 2.24 7.33 -15.31 2 7 0 93 376.416 7
Hi High (pH 8-9.5) 3.16 5.81 -54.48 1 7 -1 99 375.408 7
Hi High (pH 8-9.5) 3.15 4.88 -50.13 1 7 -1 99 375.408 7

Activity (Go SEA)

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