UCSF

ZINC03592226

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 23 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) 1.67 7.33 -25.41 1 7 0 90 347.425 5
Hi High (pH 8-9.5) 1.86 5.75 -51.73 0 7 -1 96 346.417 5

Activity (Go SEA)

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