UCSF

ZINC17050677

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 32 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) 4.90 7.63 -15.49 1 6 0 84 478.542 5
Hi High (pH 8-9.5) 4.90 7.73 -51.66 0 6 -1 86 477.534 5

Activity (Go SEA)

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