UCSF

ZINC37254883

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 3.22 6.93 -41.52 2 3 1 42 274.413 5
Hi High (pH 8-9.5) 3.22 5.56 -10.1 1 3 0 38 273.405 5

Activity (Go SEA)

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