UCSF

ZINC31920596

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 3.23 6.28 -12.72 1 3 0 38 258.708 2
Lo Low (pH 4.5-6) 3.23 6.68 -30.24 2 3 1 39 259.716 2

Activity (Go SEA)

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