UCSF

ZINC43702128

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 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) -1.10 -0.43 -102.51 0 8 -2 119 251.198 2
Lo Low (pH 4.5-6) -1.56 1.42 -49.87 1 8 -1 115 252.206 2

Activity (Go SEA)

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