UCSF

ZINC06481094

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 21 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) 2.33 5.49 -17.07 1 5 0 66 312.435 8
Mid Mid (pH 6-8) 2.33 5.56 -42.26 0 5 -1 69 311.427 8

Activity (Go SEA)

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