UCSF

ZINC36988625

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 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) 2.06 5.8 -37.26 2 3 1 34 292.241 5
Hi High (pH 8-9.5) 2.25 3.65 -33.21 1 3 0 40 291.233 5

Activity (Go SEA)

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