UCSF

ZINC19809872

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 21 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) 2.97 8.16 -42.34 3 3 1 46 287.427 2
Hi High (pH 8-9.5) 2.97 6.81 -8.35 2 3 0 41 286.419 2

Activity (Go SEA)

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