UCSF

ZINC13678420

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 14 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) 3.38 5.8 -8.75 0 2 0 34 214.33 4
Hi High (pH 8-9.5) 4.19 5.8 -35.65 0 2 -1 40 213.322 4
Mid Mid (pH 6-8) 3.38 5.8 -4.7 0 2 0 34 214.33 4

Activity (Go SEA)

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