UCSF

ZINC21810703

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 0.07 -4.47 -16 4 7 0 105 301.368 5
Hi High (pH 8-9.5) 0.07 -4.02 -45.64 3 7 -1 108 300.36 5
Mid Mid (pH 6-8) 0.07 -2.14 -51.9 5 7 1 106 302.376 5

Activity (Go SEA)

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