UCSF

ZINC44660160

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 15 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) 1.34 5.73 -36.83 2 2 1 20 203.309 2
Hi High (pH 8-9.5) 1.34 4.38 -2.21 1 2 0 15 202.301 2

Activity (Go SEA)

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