UCSF

ZINC42902808

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 1.93 7.58 -103.83 4 3 2 47 245.37 4
Hi High (pH 8-9.5) 1.93 6.3 -6.92 2 3 0 44 243.354 4
Mid Mid (pH 6-8) 1.93 6.94 -48.59 3 3 1 45 244.362 4

Activity (Go SEA)

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