UCSF

ZINC34681686

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.43 12.11 -41.31 2 7 1 68 482.004 7
Hi High (pH 8-9.5) 4.43 10.26 -14.43 1 7 0 67 480.996 7
Lo Low (pH 4.5-6) 4.43 12.46 -96.45 3 7 2 69 483.012 7

Activity (Go SEA)

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