UCSF

ZINC36633921

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 23 No

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) 1.92 7.43 -40.43 1 5 1 45 357.261 3
Mid Mid (pH 6-8) 1.92 5.17 -9.85 0 5 0 44 356.253 3
Mid Mid (pH 6-8) 1.92 7.66 -47.87 1 5 1 45 357.261 3
Mid Mid (pH 6-8) 1.92 5.18 -9.23 0 5 0 44 356.253 3

Activity (Go SEA)

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