UCSF

ZINC43412063

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 2.62 9.04 -43.13 1 3 1 26 285.839 5
Hi High (pH 8-9.5) 2.62 6.7 -4.85 0 3 0 25 284.831 5

Activity (Go SEA)

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