UCSF

ZINC20508847

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 23 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) 4.55 9.04 -9.01 1 6 0 91 325.349 3
Hi High (pH 8-9.5) 5.01 7.03 -42.93 0 6 -1 94 324.341 3

Activity (Go SEA)

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