UCSF

ZINC21013383

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 21 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) 1.52 3.62 -98.28 5 5 2 78 315.483 8
Hi High (pH 8-9.5) 1.52 1.18 -9.03 3 5 0 75 313.467 8
Mid Mid (pH 6-8) 1.52 3.22 -40.78 4 5 1 77 314.475 8

Activity (Go SEA)

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