UCSF

ZINC49948596

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2010 14 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) 1.53 3.69 -32.37 2 3 1 39 213.326 4
Hi High (pH 8-9.5) 1.53 2.5 -4.97 1 3 0 34 212.318 4

Activity (Go SEA)

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