UCSF

ZINC40493942

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 16 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) 2.64 5.6 -36.19 3 3 1 46 227.372 5
Hi High (pH 8-9.5) 2.64 4.64 -7 2 3 0 41 226.364 5

Activity (Go SEA)

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