UCSF

ZINC22698989

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 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) 3.41 5.59 -10.62 1 4 0 45 372.313 3
Hi High (pH 8-9.5) 3.48 4.32 -41.61 0 4 -1 52 371.305 3
Mid Mid (pH 6-8) 3.41 7.85 -44.47 2 4 1 46 373.321 3

Activity (Go SEA)

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