UCSF

ZINC43406107

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.53 5.39 -42.47 3 2 1 41 223.365 4
Hi High (pH 8-9.5) 2.53 4.95 -5.65 2 2 0 39 222.357 4

Activity (Go SEA)

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