UCSF

ZINC14371729

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2008 24 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) 1.81 6.6 -20.9 1 6 0 75 343.408 5
Hi High (pH 8-9.5) 2.27 3.83 -56.59 0 6 -1 78 342.4 5

Activity (Go SEA)

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