UCSF

ZINC03550485

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 25 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) 3.66 7.92 -22.23 2 6 0 80 354.435 7
Hi High (pH 8-9.5) 3.66 7.76 -50.7 1 6 -1 78 353.427 7

Activity (Go SEA)

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