UCSF

ZINC37039542

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.76 6.95 -153.03 5 4 3 49 265.425 6
Hi High (pH 8-9.5) 0.76 5.14 -77.87 4 4 2 48 264.417 6

Activity (Go SEA)

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