UCSF

ZINC43993176

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 1.34 8 -103.45 3 3 2 36 215.3 2
Hi High (pH 8-9.5) 1.34 6.03 -7.12 1 3 0 30 213.284 2
Mid Mid (pH 6-8) 1.34 7.26 -48.83 2 3 1 34 214.292 2

Activity (Go SEA)

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