UCSF

ZINC44888580

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 20 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) 0.29 0.72 -38.81 1 9 -1 121 273.232 4
Lo Low (pH 4.5-6) 0.29 0.97 -11.94 2 9 0 123 274.24 4

Activity (Go SEA)

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