UCSF

ZINC37871035

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 1.47 6.08 -104.06 4 3 2 41 250.386 6
Hi High (pH 8-9.5) 1.47 4.76 -33.67 3 3 1 37 249.378 6
Mid Mid (pH 6-8) 1.47 3.62 -44.04 3 3 1 40 249.378 6

Activity (Go SEA)

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