UCSF

ZINC52851361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 22 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) 2.90 9.88 -13.24 0 3 0 24 300.377 5
Lo Low (pH 4.5-6) 2.90 10.64 -28.87 1 3 0 25 301.385 5

Activity (Go SEA)

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