UCSF

ZINC42188989

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) 3.15 5.93 -49.51 4 4 1 66 285.367 6
Hi High (pH 8-9.5) 3.15 5.6 -12.57 3 4 0 64 284.359 6

Activity (Go SEA)

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