UCSF

ZINC34823830

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 2.55 7.79 -45.08 2 3 1 33 244.362 4
Hi High (pH 8-9.5) 2.55 6.32 -6.17 1 3 0 28 243.354 4
Mid Mid (pH 6-8) 2.55 8.24 -91.84 3 3 2 34 245.37 4

Activity (Go SEA)

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