UCSF

ZINC44614845

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 21 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) -0.55 5.81 -58.2 1 7 -1 106 308.339 4
Hi High (pH 8-9.5) -0.09 3.86 -95.03 0 7 -2 109 307.331 4

Activity (Go SEA)

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