UCSF

ZINC22798230

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 28 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) 3.75 4.2 -8.97 2 5 0 52 511.258 6
Mid Mid (pH 6-8) 3.75 6.54 -51.93 3 5 1 53 512.266 6
Mid Mid (pH 6-8) 3.75 6.59 -40.54 3 5 1 53 512.266 6

Activity (Go SEA)

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