UCSF

ZINC40629504

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 11 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) -0.70 -1.01 -39.31 3 4 1 55 159.209 2
Hi High (pH 8-9.5) -0.70 -2.36 -8.42 2 4 0 50 158.201 2

Activity (Go SEA)

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