UCSF

ZINC65458606

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2011 18 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) 1.12 4.68 -47.15 4 4 1 65 261.374 4
Hi High (pH 8-9.5) 1.12 4.29 -8.54 3 4 0 64 260.366 4

Activity (Go SEA)

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