UCSF

ZINC20071495

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 15 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) 1.76 6.86 -120.14 4 2 2 32 208.349 6
Hi High (pH 8-9.5) 1.76 4.62 -39.97 3 2 1 31 207.341 6
Mid Mid (pH 6-8) 1.76 6.75 -31.21 3 2 1 30 207.341 6

Activity (Go SEA)

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