UCSF

ZINC37112964

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 1.33 4.62 -110.61 4 4 2 51 258.406 4
Hi High (pH 8-9.5) 1.33 4.37 -28.23 3 4 1 49 257.398 4
Mid Mid (pH 6-8) 1.33 3.05 -39.43 3 4 1 49 257.398 4

Activity (Go SEA)

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