UCSF

ZINC19802890

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 15 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) 2.75 3.67 -53.99 4 3 1 57 213.345 5
Hi High (pH 8-9.5) 2.75 3.32 -7.19 3 3 0 55 212.337 5

Activity (Go SEA)

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