UCSF

ZINC19809473

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 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) 2.73 7.84 -131.99 4 2 2 32 260.425 2
Hi High (pH 8-9.5) 2.73 7.53 -31.02 3 2 1 30 259.417 2
Hi High (pH 8-9.5) 2.73 5.55 -47.91 3 2 1 31 259.417 2

Activity (Go SEA)

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