UCSF

ZINC12539066

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 26 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) 3.18 9.05 -8.49 1 5 0 58 342.402 4
Lo Low (pH 4.5-6) 3.18 9.33 -36.32 2 5 1 59 343.41 4

Activity (Go SEA)

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