UCSF

ZINC53130669

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 16 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) 1.55 6.05 -47.73 3 2 1 41 213.304 4
Hi High (pH 8-9.5) 1.55 5.74 -5.41 2 2 0 39 212.296 4
Lo Low (pH 4.5-6) 1.55 6.52 -104.51 4 2 2 42 214.312 4

Activity (Go SEA)

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