UCSF

ZINC13521227

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 23 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) 3.82 6.27 -8.14 2 5 0 75 307.353 3
Hi High (pH 8-9.5) 4.28 4.48 -45.02 1 5 -1 78 306.345 3
Mid Mid (pH 6-8) 4.35 2.94 -44.24 1 5 -1 81 306.345 3

Activity (Go SEA)

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