UCSF

ZINC20548498

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 17 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) 4.55 7.9 -34.17 2 2 1 20 243.459 10
Hi High (pH 8-9.5) 4.55 9.6 -31.46 2 2 1 16 243.459 10
Mid Mid (pH 6-8) 4.55 9.98 -117.92 3 2 2 21 244.467 10

Activity (Go SEA)

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